2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide

C24H25N3O2S — CID 52815770

IUPAC2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)Nc1cccc(C(=O)N2CCCC2)c1C
InChIInChI=1S/C24H25N3O2S/c1-16-19(24(29)27-13-6-7-14-27)11-8-12-20(16)26-23(28)22-17(2)25-21(30-22)15-18-9-4-3-5-10-18/h3-5,8-12H,6-7,13-15H2,1-2H3,(H,26,28)
InChIKeyHKDNBPPXNRWTCH-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.84
Rot. Bonds5

About 2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide

2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 52815770) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID52815770
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)Nc1cccc(C(=O)N2CCCC2)c1C
InChIInChI=1S/C24H25N3O2S/c1-16-19(24(29)27-13-6-7-14-27)11-8-12-20(16)26-23(28)22-17(2)25-21(30-22)15-18-9-4-3-5-10-18/h3-5,8-12H,6-7,13-15H2,1-2H3,(H,26,28)
InChIKeyHKDNBPPXNRWTCH-UHFFFAOYSA-N
XLogP4.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 60610214
2-(5-chlorothiophen-2-yl)-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 52815737
2-ethyl-4-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 49326066
N-(3-chloro-2-methylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387146
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559983
2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886571
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 39080600
(4-benzhydrylpiperazin-1-yl)-(2-benzyl-4-methyl-1,3-thiazol-5-yl)methanone
CID 39080626
2-benzyl-4-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55705154
N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 52815815
2-benzyl-N-(1-benzylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 39084162

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide (CID 52815770) is 2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cccc(C(=O)N2CCCC2)c1C.
What is the InChIKey of 2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is HKDNBPPXNRWTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-16-19(24(29)27-13-6-7-14-27)11-8-12-20(16)26-23(28)22-17(2)25-21(30-22)15-18-9-4-3-5-10-18/h3-5,8-12H,6-7,13-15H2,1-2H3,(H,26,28).
What are the key properties of 2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide?
2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 52815770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).