N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide

C17H15ClN2OS3 — CID 41146697

IUPACN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1cccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1
InChIInChI=1S/C17H15ClN2OS3/c1-10(2)23-12-5-3-4-11(8-12)16(21)20-17-19-13(9-22-17)14-6-7-15(18)24-14/h3-10H,1-2H3,(H,19,20,21)
InChIKeyJIQWVLUKNCPTCI-UHFFFAOYSA-N
MW394.97 g/mol
LogP6.28
Rot. Bonds5

About N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide (PubChem CID 41146697) has the molecular formula C17H15ClN2OS3 and a molecular weight of 394.97 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
PubChem CID41146697
Molecular FormulaC17H15ClN2OS3
Molecular Weight394.97 g/mol
Exact Mass394.00
IUPAC NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1cccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1
InChIInChI=1S/C17H15ClN2OS3/c1-10(2)23-12-5-3-4-11(8-12)16(21)20-17-19-13(9-22-17)14-6-7-15(18)24-14/h3-10H,1-2H3,(H,19,20,21)
InChIKeyJIQWVLUKNCPTCI-UHFFFAOYSA-N
XLogP6.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.97
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2330663
3-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 18587106
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41146668
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 7565311
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 2671468
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide
CID 4062415
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-ethylsulfanylbenzamide
CID 41028551
4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 5002157
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 17426537
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4224171
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 4968210
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363664

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide (CID 41146697) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide is CC(C)Sc1cccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1.
What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide?
The InChIKey is JIQWVLUKNCPTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS3/c1-10(2)23-12-5-3-4-11(8-12)16(21)20-17-19-13(9-22-17)14-6-7-15(18)24-14/h3-10H,1-2H3,(H,19,20,21).
What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide?
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide has a molecular weight of 394.97 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 41146697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).