3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide

C16H12Cl2N2OS3 — CID 2444908

IUPAC3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C16H12Cl2N2OS3/c17-10-1-3-11(4-2-10)22-8-7-15(21)20-16-19-12(9-23-16)13-5-6-14(18)24-13/h1-6,9H,7-8H2,(H,19,20,21)
InChIKeyKSUKYAKXFBYXJP-UHFFFAOYSA-N
MW415.39 g/mol
LogP6.30
Rot. Bonds6

About 3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide

3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 2444908) has the molecular formula C16H12Cl2N2OS3 and a molecular weight of 415.39 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID2444908
Molecular FormulaC16H12Cl2N2OS3
Molecular Weight415.39 g/mol
Exact Mass413.95
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C16H12Cl2N2OS3/c17-10-1-3-11(4-2-10)22-8-7-15(21)20-16-19-12(9-23-16)13-5-6-14(18)24-13/h1-6,9H,7-8H2,(H,19,20,21)
InChIKeyKSUKYAKXFBYXJP-UHFFFAOYSA-N
XLogP6.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.39
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7546081
3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
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N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41324837
3-(4-chlorophenyl)sulfanyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7921833
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 7545675
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 55434116
N-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 134030860
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 18573284
2-(4-chlorophenyl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1479323
4-(4-chlorophenyl)sulfanyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 41272315
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41324868
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 7565311

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide (CID 2444908) is 3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide is O=C(CCSc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is KSUKYAKXFBYXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2OS3/c17-10-1-3-11(4-2-10)22-8-7-15(21)20-16-19-12(9-23-16)13-5-6-14(18)24-13/h1-6,9H,7-8H2,(H,19,20,21).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 415.39 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 2444908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).