N-(1H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(3H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(1H-inden-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;N-isoquinolin-6-yl-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-[2-(1,3-thiazol-5-yl)quinazolin-4-yl]-1,2-benzothiazol-6-amine

C93H61N27S6 — CID 164994399

About N-(1H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(3H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(1H-inden-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;N-isoquinolin-6-yl-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-[2-(1,3-thiazol-5-yl)quinazolin-4-yl]-1,2-benzothiazol-6-amine

N-(1H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(3H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(1H-inden-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;N-isoquinolin-6-yl-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-[2-(1,3-thiazol-5-yl)quinazolin-4-yl]-1,2-benzothiazol-6-amine (PubChem CID 164994399) has the molecular formula C93H61N27S6 and a molecular weight of 1749.10 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(3H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(1H-inden-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;N-isoquinolin-6-yl-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-[2-(1,3-thiazol-5-yl)quinazolin-4-yl]-1,2-benzothiazol-6-amine.

Molecular Properties

• Compound Name: N-(1H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(3H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(1H-inden-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;N-isoquinolin-6-yl-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-[2-(1,3-thiazol-5-yl)quinazolin-4-yl]-1,2-benzothiazol-6-amine
• PubChem CID: 164994399
• Molecular Formula: C93H61N27S6
• Molecular Weight: 1749.10 g/mol
• Exact Mass: 1747.39
• IUPAC Name: N-(1H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(3H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(1H-inden-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;N-isoquinolin-6-yl-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-[2-(1,3-thiazol-5-yl)quinazolin-4-yl]-1,2-benzothiazol-6-amine
• SMILES: C1=Cc2cc(Nc3nc(-c4cncs4)nc4ncccc34)ccc2C1.c1ccc2c(Nc3ccc4c(c3)N=NC4)nc(-c3cncs3)nc2c1.c1ccc2c(Nc3ccc4cn[nH]c4c3)nc(-c3cncs3)nc2c1.c1ccc2c(Nc3ccc4cnccc4c3)nc(-c3cncs3)nc2c1.c1ccc2c(Nc3ccc4cnsc4c3)nc(-c3cncs3)nc2c1
• InChI: InChI=1S/C20H13N5S.C19H13N5S.2C18H12N6S.C18H11N5S2/c1-2-4-17-16(3-1)19(25-20(24-17)18-11-22-12-26-18)23-15-6-5-14-10-21-8-7-13(14)9-15;1-3-12-6-7-14(9-13(12)4-1)22-18-15-5-2-8-21-17(15)23-19(24-18)16-10-20-11-25-16;2*1-2-4-14-13(3-1)17(23-18(22-14)16-9-19-10-25-16)21-12-6-5-11-8-20-24-15(11)7-12;1-2-4-14-13(3-1)17(23-18(22-14)16-9-19-10-24-16)21-12-6-5-11-8-20-25-15(11)7-12/h1-12H,(H,23,24,25);1-2,4-11H,3H2,(H,21,22,23,24);1-7,9-10H,8H2,(H,21,22,23);1-10H,(H,20,24)(H,21,22,23);1-10H,(H,21,22,23)
• InChIKey: HINPUKNETJAJNJ-UHFFFAOYSA-N
• XLogP: 24.08
• TPSA: 345.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 15
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1749.10
LogP ≤ 5	24.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(3H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(1H-inden-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;N-isoquinolin-6-yl-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-[2-(1,3-thiazol-5-yl)quinazolin-4-yl]-1,2-benzothiazol-6-amine?

The IUPAC name of N-(1H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(3H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(1H-inden-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;N-isoquinolin-6-yl-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-[2-(1,3-thiazol-5-yl)quinazolin-4-yl]-1,2-benzothiazol-6-amine (CID 164994399) is N-(1H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(3H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(1H-inden-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;N-isoquinolin-6-yl-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-[2-(1,3-thiazol-5-yl)quinazolin-4-yl]-1,2-benzothiazol-6-amine.

What is the SMILES notation for N-(1H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(3H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(1H-inden-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;N-isoquinolin-6-yl-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-[2-(1,3-thiazol-5-yl)quinazolin-4-yl]-1,2-benzothiazol-6-amine?

The canonical SMILES for N-(1H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(3H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(1H-inden-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;N-isoquinolin-6-yl-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-[2-(1,3-thiazol-5-yl)quinazolin-4-yl]-1,2-benzothiazol-6-amine is C1=Cc2cc(Nc3nc(-c4cncs4)nc4ncccc34)ccc2C1.c1ccc2c(Nc3ccc4c(c3)N=NC4)nc(-c3cncs3)nc2c1.c1ccc2c(Nc3ccc4cn[nH]c4c3)nc(-c3cncs3)nc2c1.c1ccc2c(Nc3ccc4cnccc4c3)nc(-c3cncs3)nc2c1.c1ccc2c(Nc3ccc4cnsc4c3)nc(-c3cncs3)nc2c1.

What is the InChIKey of N-(1H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(3H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(1H-inden-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;N-isoquinolin-6-yl-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-[2-(1,3-thiazol-5-yl)quinazolin-4-yl]-1,2-benzothiazol-6-amine?

The InChIKey is HINPUKNETJAJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5S.C19H13N5S.2C18H12N6S.C18H11N5S2/c1-2-4-17-16(3-1)19(25-20(24-17)18-11-22-12-26-18)23-15-6-5-14-10-21-8-7-13(14)9-15;1-3-12-6-7-14(9-13(12)4-1)22-18-15-5-2-8-21-17(15)23-19(24-18)16-10-20-11-25-16;2*1-2-4-14-13(3-1)17(23-18(22-14)16-9-19-10-25-16)21-12-6-5-11-8-20-24-15(11)7-12;1-2-4-14-13(3-1)17(23-18(22-14)16-9-19-10-24-16)21-12-6-5-11-8-20-25-15(11)7-12/h1-12H,(H,23,24,25);1-2,4-11H,3H2,(H,21,22,23,24);1-7,9-10H,8H2,(H,21,22,23);1-10H,(H,20,24)(H,21,22,23);1-10H,(H,21,22,23).

What are the key properties of N-(1H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(3H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(1H-inden-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;N-isoquinolin-6-yl-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-[2-(1,3-thiazol-5-yl)quinazolin-4-yl]-1,2-benzothiazol-6-amine?

N-(1H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(3H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(1H-inden-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;N-isoquinolin-6-yl-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-[2-(1,3-thiazol-5-yl)quinazolin-4-yl]-1,2-benzothiazol-6-amine has a molecular weight of 1749.10 g/mol, XLogP of 24.08, 15 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(3H-indazol-6-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-(1H-inden-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;N-isoquinolin-6-yl-2-(1,3-thiazol-5-yl)quinazolin-4-amine;N-[2-(1,3-thiazol-5-yl)quinazolin-4-yl]-1,2-benzothiazol-6-amine is sourced from PubChem (CID 164994399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).