N-[4-(ethylcarbamoyl)-2-methylphenyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

C19H24N4O2S — CID 118790272

IUPACN-[4-(ethylcarbamoyl)-2-methylphenyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)N2CCCCC2c2nccs2)c(C)c1
InChIInChI=1S/C19H24N4O2S/c1-3-20-17(24)14-7-8-15(13(2)12-14)22-19(25)23-10-5-4-6-16(23)18-21-9-11-26-18/h7-9,11-12,16H,3-6,10H2,1-2H3,(H,20,24)(H,22,25)
InChIKeyIVMSLKHDHLYTNP-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.96
Rot. Bonds4

About N-[4-(ethylcarbamoyl)-2-methylphenyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

N-[4-(ethylcarbamoyl)-2-methylphenyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 118790272) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[4-(ethylcarbamoyl)-2-methylphenyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylcarbamoyl)-2-methylphenyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID118790272
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[4-(ethylcarbamoyl)-2-methylphenyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)N2CCCCC2c2nccs2)c(C)c1
InChIInChI=1S/C19H24N4O2S/c1-3-20-17(24)14-7-8-15(13(2)12-14)22-19(25)23-10-5-4-6-16(23)18-21-9-11-26-18/h7-9,11-12,16H,3-6,10H2,1-2H3,(H,20,24)(H,22,25)
InChIKeyIVMSLKHDHLYTNP-UHFFFAOYSA-N
XLogP3.96
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-methyl-4-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 97454949
(2R)-N-(2-methylquinolin-5-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 125174117
(2R)-N-(2,6-difluorophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 97445838
N-[2-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 121495520
N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 118780330
(2R)-N-(1,3-benzodioxol-5-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 97283745
(2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 99818290
(2S)-N-(6-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 97434584
(2R)-N-(3-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 99818294
(2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 125143068
(2R)-N-(1-ethyltriazol-4-yl)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 97283816
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylcarbamoyl)-2-methylphenyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[4-(ethylcarbamoyl)-2-methylphenyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 118790272) is N-[4-(ethylcarbamoyl)-2-methylphenyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(ethylcarbamoyl)-2-methylphenyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-(ethylcarbamoyl)-2-methylphenyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide is CCNC(=O)c1ccc(NC(=O)N2CCCCC2c2nccs2)c(C)c1.
What is the InChIKey of N-[4-(ethylcarbamoyl)-2-methylphenyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is IVMSLKHDHLYTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-3-20-17(24)14-7-8-15(13(2)12-14)22-19(25)23-10-5-4-6-16(23)18-21-9-11-26-18/h7-9,11-12,16H,3-6,10H2,1-2H3,(H,20,24)(H,22,25).
What are the key properties of N-[4-(ethylcarbamoyl)-2-methylphenyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
N-[4-(ethylcarbamoyl)-2-methylphenyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylcarbamoyl)-2-methylphenyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 118790272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).