1-[(4-methyl-1,3-thiazol-5-yl)-phenylmethyl]pyrrolidine-2-carboxamide

C16H19N3OS — CID 175959995

IUPAC1-[(4-methyl-1,3-thiazol-5-yl)-phenylmethyl]pyrrolidine-2-carboxamide
SMILESCc1ncsc1C(c1ccccc1)N1CCCC1C(N)=O
InChIInChI=1S/C16H19N3OS/c1-11-15(21-10-18-11)14(12-6-3-2-4-7-12)19-9-5-8-13(19)16(17)20/h2-4,6-7,10,13-14H,5,8-9H2,1H3,(H2,17,20)
InChIKeyVLDAGDFYFCWJHQ-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.49
Rot. Bonds4

About 1-[(4-methyl-1,3-thiazol-5-yl)-phenylmethyl]pyrrolidine-2-carboxamide

1-[(4-methyl-1,3-thiazol-5-yl)-phenylmethyl]pyrrolidine-2-carboxamide (PubChem CID 175959995) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-5-yl)-phenylmethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-5-yl)-phenylmethyl]pyrrolidine-2-carboxamide
PubChem CID175959995
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name1-[(4-methyl-1,3-thiazol-5-yl)-phenylmethyl]pyrrolidine-2-carboxamide
SMILESCc1ncsc1C(c1ccccc1)N1CCCC1C(N)=O
InChIInChI=1S/C16H19N3OS/c1-11-15(21-10-18-11)14(12-6-3-2-4-7-12)19-9-5-8-13(19)16(17)20/h2-4,6-7,10,13-14H,5,8-9H2,1H3,(H2,17,20)
InChIKeyVLDAGDFYFCWJHQ-UHFFFAOYSA-N
XLogP2.49
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
1-(2-amino-1-phenylpropyl)pyrrolidine-2-carboxamide
CID 55017137
(2S)-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide;hydrochloride
CID 164897606
1-[(1R)-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]pyrrolidine-2-carboxamide
CID 164705218
methyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate
CID 163261886
1-(2-amino-1-thiophen-2-ylpropyl)pyrrolidine-2-carboxamide
CID 55021902
1-[(3-methylthiophen-2-yl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 4316503
1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide
CID 55016470
1-[(2-fluorophenyl)-(3-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4242089
1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-2-carboxylic acid
CID 4685036
1-[phenyl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3323580
1-(2-cyano-1-phenylethyl)piperidine-2-carboxamide
CID 55117539

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)-phenylmethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)-phenylmethyl]pyrrolidine-2-carboxamide (CID 175959995) is 1-[(4-methyl-1,3-thiazol-5-yl)-phenylmethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-5-yl)-phenylmethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-5-yl)-phenylmethyl]pyrrolidine-2-carboxamide is Cc1ncsc1C(c1ccccc1)N1CCCC1C(N)=O.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-5-yl)-phenylmethyl]pyrrolidine-2-carboxamide?
The InChIKey is VLDAGDFYFCWJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-15(21-10-18-11)14(12-6-3-2-4-7-12)19-9-5-8-13(19)16(17)20/h2-4,6-7,10,13-14H,5,8-9H2,1H3,(H2,17,20).
What are the key properties of 1-[(4-methyl-1,3-thiazol-5-yl)-phenylmethyl]pyrrolidine-2-carboxamide?
1-[(4-methyl-1,3-thiazol-5-yl)-phenylmethyl]pyrrolidine-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-5-yl)-phenylmethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 175959995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).