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

C18H21N3O2S2 — CID 4051688

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide
SMILESCc1ccc(-c2csc(NC(=O)CSCC(=O)N3CCCC3)n2)cc1
InChIInChI=1S/C18H21N3O2S2/c1-13-4-6-14(7-5-13)15-10-25-18(19-15)20-16(22)11-24-12-17(23)21-8-2-3-9-21/h4-7,10H,2-3,8-9,11-12H2,1H3,(H,19,20,22)
InChIKeyCKARQIZGWDROFR-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.41
Rot. Bonds6

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

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide (PubChem CID 4051688) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide
PubChem CID4051688
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide
SMILESCc1ccc(-c2csc(NC(=O)CSCC(=O)N3CCCC3)n2)cc1
InChIInChI=1S/C18H21N3O2S2/c1-13-4-6-14(7-5-13)15-10-25-18(19-15)20-16(22)11-24-12-17(23)21-8-2-3-9-21/h4-7,10H,2-3,8-9,11-12H2,1H3,(H,19,20,22)
InChIKeyCKARQIZGWDROFR-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2158825
2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 41059378
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 3623257
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylacetamide
CID 40856252
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3685808
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 4644165
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 4190693
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 111542504
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 5223813
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 4145604
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 16547912
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7605698

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide (CID 4051688) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide is Cc1ccc(-c2csc(NC(=O)CSCC(=O)N3CCCC3)n2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide?
The InChIKey is CKARQIZGWDROFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-13-4-6-14(7-5-13)15-10-25-18(19-15)20-16(22)11-24-12-17(23)21-8-2-3-9-21/h4-7,10H,2-3,8-9,11-12H2,1H3,(H,19,20,22).
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide has a molecular weight of 375.52 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide is sourced from PubChem (CID 4051688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).