2-benzyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide

C23H23N3O2S — CID 60610214

IUPAC2-benzyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1c(NC(=O)c2csc(Cc3ccccc3)n2)cccc1C(=O)N1CCCC1
InChIInChI=1S/C23H23N3O2S/c1-16-18(23(28)26-12-5-6-13-26)10-7-11-19(16)25-22(27)20-15-29-21(24-20)14-17-8-3-2-4-9-17/h2-4,7-11,15H,5-6,12-14H2,1H3,(H,25,27)
InChIKeyNHBHPGACRJVRDZ-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.53
Rot. Bonds5

About 2-benzyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide

2-benzyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 60610214) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-benzyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID60610214
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name2-benzyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1c(NC(=O)c2csc(Cc3ccccc3)n2)cccc1C(=O)N1CCCC1
InChIInChI=1S/C23H23N3O2S/c1-16-18(23(28)26-12-5-6-13-26)10-7-11-19(16)25-22(27)20-15-29-21(24-20)14-17-8-3-2-4-9-17/h2-4,7-11,15H,5-6,12-14H2,1H3,(H,25,27)
InChIKeyNHBHPGACRJVRDZ-UHFFFAOYSA-N
XLogP4.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 52815770
2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119684716
(2-benzyl-1,3-thiazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 75403114
2-benzyl-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide
CID 60561856
N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 52815815
4-(2-benzyl-1,3-thiazole-4-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 56509552
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
2-(2-aminoethyl)-N-(3-carbamoyl-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66390219
2-(5-chlorothiophen-2-yl)-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 52815737
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
2-benzyl-N-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 38764761

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide (CID 60610214) is 2-benzyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide is Cc1c(NC(=O)c2csc(Cc3ccccc3)n2)cccc1C(=O)N1CCCC1.
What is the InChIKey of 2-benzyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NHBHPGACRJVRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-16-18(23(28)26-12-5-6-13-26)10-7-11-19(16)25-22(27)20-15-29-21(24-20)14-17-8-3-2-4-9-17/h2-4,7-11,15H,5-6,12-14H2,1H3,(H,25,27).
What are the key properties of 2-benzyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
2-benzyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 60610214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).