N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide

C16H19ClN2OS2 — CID 7545675

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
SMILESCC(C)(C)c1csc(NC(=O)CCSc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H19ClN2OS2/c1-16(2,3)13-10-22-15(18-13)19-14(20)8-9-21-12-6-4-11(17)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyHPBXMYUZAAJNQQ-UHFFFAOYSA-N
MW354.93 g/mol
LogP5.21
Rot. Bonds5

About N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide (PubChem CID 7545675) has the molecular formula C16H19ClN2OS2 and a molecular weight of 354.93 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
PubChem CID7545675
Molecular FormulaC16H19ClN2OS2
Molecular Weight354.93 g/mol
Exact Mass354.06
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
SMILESCC(C)(C)c1csc(NC(=O)CCSc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H19ClN2OS2/c1-16(2,3)13-10-22-15(18-13)19-14(20)8-9-21-12-6-4-11(17)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyHPBXMYUZAAJNQQ-UHFFFAOYSA-N
XLogP5.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.93
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2679359
N-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 134030860
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220
2-(4-bromophenyl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 16551571
3-(4-chlorophenyl)sulfanyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7921833
3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 2444908
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41324837
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 167837601
6-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylhexanamide
CID 65292225
2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4602168
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 55434116

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide (CID 7545675) is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide is CC(C)(C)c1csc(NC(=O)CCSc2ccc(Cl)cc2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide?
The InChIKey is HPBXMYUZAAJNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS2/c1-16(2,3)13-10-22-15(18-13)19-14(20)8-9-21-12-6-4-11(17)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,18,19,20).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide has a molecular weight of 354.93 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 7545675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).