N-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

C16H13ClN2OS2 — CID 9138977

IUPACN-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C16H13ClN2OS2/c1-10-6-12(17)2-3-14(10)19-15(20)7-13-9-22-16(18-13)11-4-5-21-8-11/h2-6,8-9H,7H2,1H3,(H,19,20)
InChIKeyIYDNIXVSSZDLFJ-UHFFFAOYSA-N
MW348.88 g/mol
LogP5.01
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

N-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 9138977) has the molecular formula C16H13ClN2OS2 and a molecular weight of 348.88 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID9138977
Molecular FormulaC16H13ClN2OS2
Molecular Weight348.88 g/mol
Exact Mass348.02
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C16H13ClN2OS2/c1-10-6-12(17)2-3-14(10)19-15(20)7-13-9-22-16(18-13)11-4-5-21-8-11/h2-6,8-9H,7H2,1H3,(H,19,20)
InChIKeyIYDNIXVSSZDLFJ-UHFFFAOYSA-N
XLogP5.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.88
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 7741839
methyl 3-methyl-4-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 36934193
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18203923
N-(4-bromo-3-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8926939
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 16560761
N-(4-chloro-2-fluorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777429
N-[3-chloro-4-(dimethylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 55825141
N-(3-methyl-2-pyridinyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 35033079
N-(2,4-dimethylphenyl)-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8714383
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 9455183
N-(4-chloro-2-methylphenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 46427859
N-(2-propan-2-yloxyphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 38999275

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 9138977) is N-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is Cc1cc(Cl)ccc1NC(=O)Cc1csc(-c2ccsc2)n1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is IYDNIXVSSZDLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS2/c1-10-6-12(17)2-3-14(10)19-15(20)7-13-9-22-16(18-13)11-4-5-21-8-11/h2-6,8-9H,7H2,1H3,(H,19,20).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 348.88 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 9138977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).