2-N-(1,3-benzothiazol-6-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-5-yl)pyrimidine-2,4-diamine;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide

C92H82N32O4S4 — CID 157449001

About 2-N-(1,3-benzothiazol-6-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-5-yl)pyrimidine-2,4-diamine;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide

2-N-(1,3-benzothiazol-6-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-5-yl)pyrimidine-2,4-diamine;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide (PubChem CID 157449001) has the molecular formula C92H82N32O4S4 and a molecular weight of 1828.16 g/mol. Its IUPAC name is 2-N-(1,3-benzothiazol-6-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-5-yl)pyrimidine-2,4-diamine;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide.

Molecular Properties

• Compound Name: 2-N-(1,3-benzothiazol-6-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-5-yl)pyrimidine-2,4-diamine;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide
• PubChem CID: 157449001
• Molecular Formula: C92H82N32O4S4
• Molecular Weight: 1828.16 g/mol
• Exact Mass: 1826.61
• IUPAC Name: 2-N-(1,3-benzothiazol-6-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-5-yl)pyrimidine-2,4-diamine;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide
• SMILES: CC(=O)Nc1ccc(Oc2nc(Nc3nncs3)c3ccccc3n2)cc1.CCN(CCc1ccccc1)c1nc(Nc2cnco2)c2ccccc2n1.CN1CCN(c2cc(Nc3cncs3)nc(N(C)c3ccc4ncsc4c3)n2)CC1.Cc1ncsc1Nc1nc(-c2ccccc2)nc2cc[nH]c12.c1cc2c(Nc3nnco3)nc(Cc3ccc4[nH]ncc4c3)nc2cn1
• InChI: InChI=1S/C21H21N5O.C20H22N8S2.C18H14N6O2S.C17H12N8O.C16H13N5S/c1-2-26(13-12-16-8-4-3-5-9-16)21-23-18-11-7-6-10-17(18)20(25-21)24-19-14-22-15-27-19;1-26-5-7-28(8-6-26)18-10-17(23-19-11-21-12-30-19)24-20(25-18)27(2)14-3-4-15-16(9-14)29-13-22-15;1-11(25)20-12-6-8-13(9-7-12)26-17-21-15-5-3-2-4-14(15)16(22-17)23-18-24-19-10-27-18;1-2-13-11(7-19-24-13)5-10(1)6-15-21-14-8-18-4-3-12(14)16(22-15)23-17-25-20-9-26-17;1-10-16(22-9-18-10)21-15-13-12(7-8-17-13)19-14(20-15)11-5-3-2-4-6-11/h3-11,14-15H,2,12-13H2,1H3,(H,23,24,25);3-4,9-13H,5-8H2,1-2H3,(H,23,24,25);2-10H,1H3,(H,20,25)(H,21,22,23,24);1-5,7-9H,6H2,(H,19,24)(H,21,22,23,25);2-9,17H,1H3,(H,19,20,21)
• InChIKey: BSOMQKWAWSAIFC-UHFFFAOYSA-N
• XLogP: 18.96
• TPSA: 427.10 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 24
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1828.16
LogP ≤ 5	18.96
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzothiazol-6-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-5-yl)pyrimidine-2,4-diamine;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide?

The IUPAC name of 2-N-(1,3-benzothiazol-6-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-5-yl)pyrimidine-2,4-diamine;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide (CID 157449001) is 2-N-(1,3-benzothiazol-6-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-5-yl)pyrimidine-2,4-diamine;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide.

What is the SMILES notation for 2-N-(1,3-benzothiazol-6-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-5-yl)pyrimidine-2,4-diamine;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide?

The canonical SMILES for 2-N-(1,3-benzothiazol-6-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-5-yl)pyrimidine-2,4-diamine;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide is CC(=O)Nc1ccc(Oc2nc(Nc3nncs3)c3ccccc3n2)cc1.CCN(CCc1ccccc1)c1nc(Nc2cnco2)c2ccccc2n1.CN1CCN(c2cc(Nc3cncs3)nc(N(C)c3ccc4ncsc4c3)n2)CC1.Cc1ncsc1Nc1nc(-c2ccccc2)nc2cc[nH]c12.c1cc2c(Nc3nnco3)nc(Cc3ccc4[nH]ncc4c3)nc2cn1.

What is the InChIKey of 2-N-(1,3-benzothiazol-6-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-5-yl)pyrimidine-2,4-diamine;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide?

The InChIKey is BSOMQKWAWSAIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O.C20H22N8S2.C18H14N6O2S.C17H12N8O.C16H13N5S/c1-2-26(13-12-16-8-4-3-5-9-16)21-23-18-11-7-6-10-17(18)20(25-21)24-19-14-22-15-27-19;1-26-5-7-28(8-6-26)18-10-17(23-19-11-21-12-30-19)24-20(25-18)27(2)14-3-4-15-16(9-14)29-13-22-15;1-11(25)20-12-6-8-13(9-7-12)26-17-21-15-5-3-2-4-14(15)16(22-17)23-18-24-19-10-27-18;1-2-13-11(7-19-24-13)5-10(1)6-15-21-14-8-18-4-3-12(14)16(22-15)23-17-25-20-9-26-17;1-10-16(22-9-18-10)21-15-13-12(7-8-17-13)19-14(20-15)11-5-3-2-4-6-11/h3-11,14-15H,2,12-13H2,1H3,(H,23,24,25);3-4,9-13H,5-8H2,1-2H3,(H,23,24,25);2-10H,1H3,(H,20,25)(H,21,22,23,24);1-5,7-9H,6H2,(H,19,24)(H,21,22,23,25);2-9,17H,1H3,(H,19,20,21).

What are the key properties of 2-N-(1,3-benzothiazol-6-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-5-yl)pyrimidine-2,4-diamine;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide?

2-N-(1,3-benzothiazol-6-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-5-yl)pyrimidine-2,4-diamine;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide has a molecular weight of 1828.16 g/mol, XLogP of 18.96, 24 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(1,3-benzothiazol-6-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-5-yl)pyrimidine-2,4-diamine;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide is sourced from PubChem (CID 157449001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).