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

C16H19N3OS — CID 63139115

IUPAC3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)C3(C)CCNC3)c2)cs1
InChIInChI=1S/C16H19N3OS/c1-11-18-14(9-21-11)12-4-3-5-13(8-12)19-15(20)16(2)6-7-17-10-16/h3-5,8-9,17H,6-7,10H2,1-2H3,(H,19,20)
InChIKeyMSHHORYBWNHNAH-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.06
Rot. Bonds3

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

3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 63139115) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID63139115
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)C3(C)CCNC3)c2)cs1
InChIInChI=1S/C16H19N3OS/c1-11-18-14(9-21-11)12-4-3-5-13(8-12)19-15(20)16(2)6-7-17-10-16/h3-5,8-9,17H,6-7,10H2,1-2H3,(H,19,20)
InChIKeyMSHHORYBWNHNAH-UHFFFAOYSA-N
XLogP3.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 119943913
3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 119943997
2-(azetidin-3-ylidene)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 116675511
2-(azetidin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 116675510
3-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-3-carboxamide
CID 63141616
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropane-1-carboxamide
CID 90503926
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 43707323
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270940
(2S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270942
(2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 120618174

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide (CID 63139115) is 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide is Cc1nc(-c2cccc(NC(=O)C3(C)CCNC3)c2)cs1.
What is the InChIKey of 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is MSHHORYBWNHNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-18-14(9-21-11)12-4-3-5-13(8-12)19-15(20)16(2)6-7-17-10-16/h3-5,8-9,17H,6-7,10H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide?
3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63139115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).