2-anilino-N-[2-[(2-anilinoacetyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide

C24H20N6O2S2 — CID 15179987

IUPAC2-anilino-N-[2-[(2-anilinoacetyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
SMILESO=C(CNc1ccccc1)Nc1nc2cc3nc(NC(=O)CNc4ccccc4)sc3cc2s1
InChIInChI=1S/C24H20N6O2S2/c31-21(13-25-15-7-3-1-4-8-15)29-23-27-17-11-18-20(12-19(17)33-23)34-24(28-18)30-22(32)14-26-16-9-5-2-6-10-16/h1-12,25-26H,13-14H2,(H,27,29,31)(H,28,30,32)
InChIKeyMHYQLHNZMHAFSY-UHFFFAOYSA-N
MW488.60 g/mol
LogP5.01
Rot. Bonds8

About 2-anilino-N-[2-[(2-anilinoacetyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide

2-anilino-N-[2-[(2-anilinoacetyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide (PubChem CID 15179987) has the molecular formula C24H20N6O2S2 and a molecular weight of 488.60 g/mol. Its IUPAC name is 2-anilino-N-[2-[(2-anilinoacetyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide.

Molecular Properties

Compound Name2-anilino-N-[2-[(2-anilinoacetyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
PubChem CID15179987
Molecular FormulaC24H20N6O2S2
Molecular Weight488.60 g/mol
Exact Mass488.11
IUPAC Name2-anilino-N-[2-[(2-anilinoacetyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
SMILESO=C(CNc1ccccc1)Nc1nc2cc3nc(NC(=O)CNc4ccccc4)sc3cc2s1
InChIInChI=1S/C24H20N6O2S2/c31-21(13-25-15-7-3-1-4-8-15)29-23-27-17-11-18-20(12-19(17)33-23)34-24(28-18)30-22(32)14-26-16-9-5-2-6-10-16/h1-12,25-26H,13-14H2,(H,27,29,31)(H,28,30,32)
InChIKeyMHYQLHNZMHAFSY-UHFFFAOYSA-N
XLogP5.01
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.60
LogP ≤ 55.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
CID 15179976
2-anilino-N-(8-methyl-7H-pyrazolo[3,4-g][1,3]benzothiazol-2-yl)acetamide
CID 88980295
2-(4-phenylpiperazin-1-yl)-N-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
CID 15180013
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-hydrazinylacetamide
CID 15403567
N-(1,3-benzothiazol-2-yl)-2-(tert-butylamino)acetamide
CID 47840976
2-anilino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 103607106
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
2-anilino-N-(3-iodophenyl)acetamide
CID 47107105
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721
2-(dibenzylamino)-N-(6-ethyl-5-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 17066562
3-oxo-N-[6-[(2-phenylacetyl)amino]-1,3-benzothiazol-2-yl]butanamide
CID 57257022

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[2-[(2-anilinoacetyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide?
The IUPAC name of 2-anilino-N-[2-[(2-anilinoacetyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide (CID 15179987) is 2-anilino-N-[2-[(2-anilinoacetyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide.
What is the SMILES notation for 2-anilino-N-[2-[(2-anilinoacetyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide?
The canonical SMILES for 2-anilino-N-[2-[(2-anilinoacetyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide is O=C(CNc1ccccc1)Nc1nc2cc3nc(NC(=O)CNc4ccccc4)sc3cc2s1.
What is the InChIKey of 2-anilino-N-[2-[(2-anilinoacetyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide?
The InChIKey is MHYQLHNZMHAFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2S2/c31-21(13-25-15-7-3-1-4-8-15)29-23-27-17-11-18-20(12-19(17)33-23)34-24(28-18)30-22(32)14-26-16-9-5-2-6-10-16/h1-12,25-26H,13-14H2,(H,27,29,31)(H,28,30,32).
What are the key properties of 2-anilino-N-[2-[(2-anilinoacetyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide?
2-anilino-N-[2-[(2-anilinoacetyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide has a molecular weight of 488.60 g/mol, XLogP of 5.01, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[2-[(2-anilinoacetyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide is sourced from PubChem (CID 15179987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).