N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide

C15H15N3O2S2 — CID 112767500

IUPACN-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCSc1ccc(-c2csc(NC(=O)C3CCC(=O)N3)n2)cc1
InChIInChI=1S/C15H15N3O2S2/c1-21-10-4-2-9(3-5-10)12-8-22-15(17-12)18-14(20)11-6-7-13(19)16-11/h2-5,8,11H,6-7H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyULZSQCSYXQHNRY-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.75
Rot. Bonds4

About N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide

N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 112767500) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID112767500
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC NameN-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCSc1ccc(-c2csc(NC(=O)C3CCC(=O)N3)n2)cc1
InChIInChI=1S/C15H15N3O2S2/c1-21-10-4-2-9(3-5-10)12-8-22-15(17-12)18-14(20)11-6-7-13(19)16-11/h2-5,8,11H,6-7H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyULZSQCSYXQHNRY-UHFFFAOYSA-N
XLogP2.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 119270252
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719450
N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 110689742
2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
CID 112767499
(3S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
CID 97063717
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 16934366
3-cyclopentylsulfonyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
CID 55757639
4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581409
3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide
CID 119687624
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxocyclohexane-1-carboxamide
CID 126509238
2-amino-3-methyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119270264
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 7733333

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 112767500) is N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide is CSc1ccc(-c2csc(NC(=O)C3CCC(=O)N3)n2)cc1.
What is the InChIKey of N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ULZSQCSYXQHNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-21-10-4-2-9(3-5-10)12-8-22-15(17-12)18-14(20)11-6-7-13(19)16-11/h2-5,8,11H,6-7H2,1H3,(H,16,19)(H,17,18,20).
What are the key properties of N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 112767500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).