N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide

C13H15ClN2O2S2 — CID 2335619

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CSC1=NCCS1
InChIInChI=1S/C13H15ClN2O2S2/c1-8-5-10(11(18-2)6-9(8)14)16-12(17)7-20-13-15-3-4-19-13/h5-6H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyLWPAPQWBLKSEDM-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.43
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide (PubChem CID 2335619) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
PubChem CID2335619
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CSC1=NCCS1
InChIInChI=1S/C13H15ClN2O2S2/c1-8-5-10(11(18-2)6-9(8)14)16-12(17)7-20-13-15-3-4-19-13/h5-6H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyLWPAPQWBLKSEDM-UHFFFAOYSA-N
XLogP3.43
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclopentylacetamide
CID 2668973
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 974707
N-(2-chlorobenzyl)-2-((4-(2-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl)thio)acetamide
CID 18579496
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 16277493
2-[[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4968243
N-(4-chloro-2-methoxy-5-methylphenyl)-2-((4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)thio)acetamide
CID 135546857
Ethyl (4-chloro-2-methoxy-5-methylphenyl)carbamate
CID 731693
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylacetamide
CID 734363
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(phenylthio)acetamide
CID 895197
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(cyanomethyl)sulfanyl]acetamide
CID 1642477
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(2,5-dioxo-1-pyrrolidinyl)butanamide
CID 2219838
2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 2540390

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide (CID 2335619) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)CSC1=NCCS1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The InChIKey is LWPAPQWBLKSEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-8-5-10(11(18-2)6-9(8)14)16-12(17)7-20-13-15-3-4-19-13/h5-6H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide has a molecular weight of 330.86 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 2335619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).