N-(4-methylphenyl)-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]sulfanyl]acetamide

C18H21N3O2S2 — CID 16899394

IUPACN-(4-methylphenyl)-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2nc(CC(=O)N3CCCC3)cs2)cc1
InChIInChI=1S/C18H21N3O2S2/c1-13-4-6-14(7-5-13)19-16(22)12-25-18-20-15(11-24-18)10-17(23)21-8-2-3-9-21/h4-7,11H,2-3,8-10,12H2,1H3,(H,19,22)
InChIKeyPZHHBGKQLJSPRW-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.35
Rot. Bonds6

About N-(4-methylphenyl)-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]sulfanyl]acetamide

N-(4-methylphenyl)-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (PubChem CID 16899394) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
PubChem CID16899394
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC NameN-(4-methylphenyl)-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2nc(CC(=O)N3CCCC3)cs2)cc1
InChIInChI=1S/C18H21N3O2S2/c1-13-4-6-14(7-5-13)19-16(22)12-25-18-20-15(11-24-18)10-17(23)21-8-2-3-9-21/h4-7,11H,2-3,8-10,12H2,1H3,(H,19,22)
InChIKeyPZHHBGKQLJSPRW-UHFFFAOYSA-N
XLogP3.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 16899402
2-[[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 16899401
2-[[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 16899406
N-(4-methoxyphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899465
N-(3,4-dimethylphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899482
N-(cyclohexylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899514
2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-dipropylacetamide
CID 16899389
2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 16899433
N-(4-chlorophenyl)-2-[[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 16899261
N-(2-methoxy-4-methylphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899510
N-(furan-2-ylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899437
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(4-chlorophenyl)acetamide
CID 16898739

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (CID 16899394) is N-(4-methylphenyl)-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is Cc1ccc(NC(=O)CSc2nc(CC(=O)N3CCCC3)cs2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The InChIKey is PZHHBGKQLJSPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-13-4-6-14(7-5-13)19-16(22)12-25-18-20-15(11-24-18)10-17(23)21-8-2-3-9-21/h4-7,11H,2-3,8-10,12H2,1H3,(H,19,22).
What are the key properties of N-(4-methylphenyl)-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
N-(4-methylphenyl)-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]sulfanyl]acetamide has a molecular weight of 375.52 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 16899394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).