3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide

C20H12Cl2N4O2S2 — CID 4684808

IUPAC3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)cs1)c1cccc(Cl)c1
InChIInChI=1S/C20H12Cl2N4O2S2/c21-13-5-1-3-11(7-13)17(27)25-19-23-15(9-29-19)16-10-30-20(24-16)26-18(28)12-4-2-6-14(22)8-12/h1-10H,(H,23,25,27)(H,24,26,28)
InChIKeyMNYQBOYXXVHYCL-UHFFFAOYSA-N
MW475.38 g/mol
LogP6.08
Rot. Bonds5

About 3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide

3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 4684808) has the molecular formula C20H12Cl2N4O2S2 and a molecular weight of 475.38 g/mol. Its IUPAC name is 3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
PubChem CID4684808
Molecular FormulaC20H12Cl2N4O2S2
Molecular Weight475.38 g/mol
Exact Mass473.98
IUPAC Name3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)cs1)c1cccc(Cl)c1
InChIInChI=1S/C20H12Cl2N4O2S2/c21-13-5-1-3-11(7-13)17(27)25-19-23-15(9-29-19)16-10-30-20(24-16)26-18(28)12-4-2-6-14(22)8-12/h1-10H,(H,23,25,27)(H,24,26,28)
InChIKeyMNYQBOYXXVHYCL-UHFFFAOYSA-N
XLogP6.08
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.38
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4115065
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N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide
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3-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
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N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
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3-(aminomethyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 119044872
3,5-dichloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 5159271
1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3495731
2-[(3-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 46113565
3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2562898
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 7295218
2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide (CID 4684808) is 3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)cs1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is MNYQBOYXXVHYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N4O2S2/c21-13-5-1-3-11(7-13)17(27)25-19-23-15(9-29-19)16-10-30-20(24-16)26-18(28)12-4-2-6-14(22)8-12/h1-10H,(H,23,25,27)(H,24,26,28).
What are the key properties of 3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide?
3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 475.38 g/mol, XLogP of 6.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4684808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).