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

C20H26N4OS — CID 47049742

IUPACN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)N3CCCC(N4CCCC4)C3)c2)cs1
InChIInChI=1S/C20H26N4OS/c1-15-21-19(14-26-15)16-6-4-7-17(12-16)22-20(25)24-11-5-8-18(13-24)23-9-2-3-10-23/h4,6-7,12,14,18H,2-3,5,8-11,13H2,1H3,(H,22,25)
InChIKeyJUJFJCMATQLGNU-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.21
Rot. Bonds3

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

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide (PubChem CID 47049742) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
PubChem CID47049742
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)N3CCCC(N4CCCC4)C3)c2)cs1
InChIInChI=1S/C20H26N4OS/c1-15-21-19(14-26-15)16-6-4-7-17(12-16)22-20(25)24-11-5-8-18(13-24)23-9-2-3-10-23/h4,6-7,12,14,18H,2-3,5,8-11,13H2,1H3,(H,22,25)
InChIKeyJUJFJCMATQLGNU-UHFFFAOYSA-N
XLogP4.21
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,5R)-8-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 72899676
2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 46807539
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
CID 97278650
(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125169016
(3S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100795995
4-(2-methoxyethyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperazine-1-carboxamide
CID 72933089
[(7R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl] 3-(2-methyl-1,3-thiazol-4-yl)benzoate
CID 124852475
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 111427212
3-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24513884
(1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 9166489
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24641452
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 43707323

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide (CID 47049742) is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide is Cc1nc(-c2cccc(NC(=O)N3CCCC(N4CCCC4)C3)c2)cs1.
What is the InChIKey of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The InChIKey is JUJFJCMATQLGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-15-21-19(14-26-15)16-6-4-7-17(12-16)22-20(25)24-11-5-8-18(13-24)23-9-2-3-10-23/h4,6-7,12,14,18H,2-3,5,8-11,13H2,1H3,(H,22,25).
What are the key properties of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 47049742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).