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

C20H19ClN2OS2 — CID 7921833

IUPAC3-(4-chlorophenyl)sulfanyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)CCSc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C20H19ClN2OS2/c1-13-3-4-14(2)17(11-13)18-12-26-20(22-18)23-19(24)9-10-25-16-7-5-15(21)6-8-16/h3-8,11-12H,9-10H2,1-2H3,(H,22,23,24)
InChIKeyZQRTUTXOVPOXPK-UHFFFAOYSA-N
MW402.97 g/mol
LogP6.20
Rot. Bonds6

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

3-(4-chlorophenyl)sulfanyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 7921833) has the molecular formula C20H19ClN2OS2 and a molecular weight of 402.97 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID7921833
Molecular FormulaC20H19ClN2OS2
Molecular Weight402.97 g/mol
Exact Mass402.06
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)CCSc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C20H19ClN2OS2/c1-13-3-4-14(2)17(11-13)18-12-26-20(22-18)23-19(24)9-10-25-16-7-5-15(21)6-8-16/h3-8,11-12H,9-10H2,1-2H3,(H,22,23,24)
InChIKeyZQRTUTXOVPOXPK-UHFFFAOYSA-N
XLogP6.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.97
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 19197142
3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2679359
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 735052
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfanylacetamide
CID 7402812
3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 2444908
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 7545675
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)sulfanylbutanamide
CID 41086080
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41324837
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)sulfanylpropanamide
CID 7545224
N-[3-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630708
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196570
2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3324498

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide (CID 7921833) is 3-(4-chlorophenyl)sulfanyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide is Cc1ccc(C)c(-c2csc(NC(=O)CCSc3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is ZQRTUTXOVPOXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2OS2/c1-13-3-4-14(2)17(11-13)18-12-26-20(22-18)23-19(24)9-10-25-16-7-5-15(21)6-8-16/h3-8,11-12H,9-10H2,1-2H3,(H,22,23,24).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 402.97 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 7921833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).