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

C16H19N3OS — CID 155048065

IUPAC2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1ncsc1-c1ccc(CC2(C(N)=O)CCCN2)cc1
InChIInChI=1S/C16H19N3OS/c1-11-14(21-10-18-11)13-5-3-12(4-6-13)9-16(15(17)20)7-2-8-19-16/h3-6,10,19H,2,7-9H2,1H3,(H2,17,20)
InChIKeyOQBKXZANDPJQQD-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.27
Rot. Bonds4

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

2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 155048065) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID155048065
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1ncsc1-c1ccc(CC2(C(N)=O)CCCN2)cc1
InChIInChI=1S/C16H19N3OS/c1-11-14(21-10-18-11)13-5-3-12(4-6-13)9-16(15(17)20)7-2-8-19-16/h3-6,10,19H,2,7-9H2,1H3,(H2,17,20)
InChIKeyOQBKXZANDPJQQD-UHFFFAOYSA-N
XLogP2.27
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 155226930
(2R)-2-hydroxy-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 155774612
ethyl 2-[(4-bromophenyl)methyl]pyrrolidine-2-carboxylate
CID 20786311
2-(1,4-dihydroxycyclohexyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide
CID 146108753
ethyl 2-benzylpyrrolidine-2-carboxylate
CID 75525875
4-methyl-5-[4-[(4-methylpyrrolidin-2-yl)methyl]phenyl]-1,3-thiazole
CID 171106593
methyl 2-formamido-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate
CID 175819788
ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 156851577
2-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 83079953
(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethane-1,1-diol
CID 178069167
[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl 3-pyridin-4-ylpropanoate
CID 166360166
N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 155154777

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 155048065) is 2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide is Cc1ncsc1-c1ccc(CC2(C(N)=O)CCCN2)cc1.
What is the InChIKey of 2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is OQBKXZANDPJQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-14(21-10-18-11)13-5-3-12(4-6-13)9-16(15(17)20)7-2-8-19-16/h3-6,10,19H,2,7-9H2,1H3,(H2,17,20).
What are the key properties of 2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 155048065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).