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

C15H15N3O2S2 — CID 75417416

IUPACN-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1csc(Sc2ccc(NC(=O)C3CCC(=O)N3)cc2)n1
InChIInChI=1S/C15H15N3O2S2/c1-9-8-21-15(16-9)22-11-4-2-10(3-5-11)17-14(20)12-6-7-13(19)18-12/h2-5,8,12H,6-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyDSDQJKQIVYUPDL-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.82
Rot. Bonds4

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

N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 75417416) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID75417416
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC NameN-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1csc(Sc2ccc(NC(=O)C3CCC(=O)N3)cc2)n1
InChIInChI=1S/C15H15N3O2S2/c1-9-8-21-15(16-9)22-11-4-2-10(3-5-11)17-14(20)12-6-7-13(19)18-12/h2-5,8,12H,6-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyDSDQJKQIVYUPDL-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-oxopyrrolidine-2-carboxamide
CID 124504924
N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 110689742
1-methylsulfonyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-2-carboxamide
CID 55919536
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 71940519
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 94177447
2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide
CID 47255295
2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide
CID 55920308
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 112767500
4-benzoyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperazine-1-carboxamide
CID 60563188
1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-[(2R)-pentan-2-yl]urea
CID 51910590
2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid
CID 24710537
N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792509

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-5-oxopyrrolidine-2-carboxamide (CID 75417416) is N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-5-oxopyrrolidine-2-carboxamide is Cc1csc(Sc2ccc(NC(=O)C3CCC(=O)N3)cc2)n1.
What is the InChIKey of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is DSDQJKQIVYUPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-9-8-21-15(16-9)22-11-4-2-10(3-5-11)17-14(20)12-6-7-13(19)18-12/h2-5,8,12H,6-7H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-5-oxopyrrolidine-2-carboxamide?
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 75417416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).