N-piperidin-4-yl-5-propan-2-yl-1,2-thiazole-3-carboxamide

C12H19N3OS — CID 145256407

IUPACN-piperidin-4-yl-5-propan-2-yl-1,2-thiazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCNCC2)ns1
InChIInChI=1S/C12H19N3OS/c1-8(2)11-7-10(15-17-11)12(16)14-9-3-5-13-6-4-9/h7-9,13H,3-6H2,1-2H3,(H,14,16)
InChIKeyATNCCNSGMJWZLL-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.75
Rot. Bonds3

About N-piperidin-4-yl-5-propan-2-yl-1,2-thiazole-3-carboxamide

N-piperidin-4-yl-5-propan-2-yl-1,2-thiazole-3-carboxamide (PubChem CID 145256407) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-piperidin-4-yl-5-propan-2-yl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-5-propan-2-yl-1,2-thiazole-3-carboxamide
PubChem CID145256407
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-piperidin-4-yl-5-propan-2-yl-1,2-thiazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCNCC2)ns1
InChIInChI=1S/C12H19N3OS/c1-8(2)11-7-10(15-17-11)12(16)14-9-3-5-13-6-4-9/h7-9,13H,3-6H2,1-2H3,(H,14,16)
InChIKeyATNCCNSGMJWZLL-UHFFFAOYSA-N
XLogP1.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-((2S,4S)-1-((4-aminopiperidin-1-yl)sulfonyl)-2-methylpiperidin-4-yl)-5-ethylisothiazole-3-carboxamide
CID 118946330
N-((1R,3r,5S)-8-((4-aminopiperidin-1-yl)sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)-5-ethylisothiazole-3-carboxamide
CID 118946338
N-((2S,4R)-1-((4-aminopiperidin-1-yl)sulfonyl)-2-methylpiperidin-4-yl)-5-ethylisothiazole-3-carboxamide
CID 118946370
N-[[1-(dimethylamino)cyclopropyl]methyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 126819064
2-[2,6-Dimethyl-4-(5-methyl-1,2-thiazole-3-carbonyl)piperazin-1-yl]acetonitrile
CID 126829407
5-methyl-N-(3-pyrrolidin-1-ylcyclobutyl)-1,2-thiazole-3-carboxamide
CID 132319301
N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5-methyl-1,2-thiazole-3-carboxamide
CID 132323062
N-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole-3-carboxamide
CID 166845261
N-((1r,4r)-4-aminocyclohexyl)-5-ethylisothiazole-3-carboxamide
CID 132227965
[4-(3-Fluoropropyl)piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
CID 126822653
5-methyl-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]-1,2-thiazole-3-carboxamide
CID 126826310
N-[1-(2-fluoroethyl)piperidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide
CID 126826356

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-5-propan-2-yl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-piperidin-4-yl-5-propan-2-yl-1,2-thiazole-3-carboxamide (CID 145256407) is N-piperidin-4-yl-5-propan-2-yl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-5-propan-2-yl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-piperidin-4-yl-5-propan-2-yl-1,2-thiazole-3-carboxamide is CC(C)c1cc(C(=O)NC2CCNCC2)ns1.
What is the InChIKey of N-piperidin-4-yl-5-propan-2-yl-1,2-thiazole-3-carboxamide?
The InChIKey is ATNCCNSGMJWZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(2)11-7-10(15-17-11)12(16)14-9-3-5-13-6-4-9/h7-9,13H,3-6H2,1-2H3,(H,14,16).
What are the key properties of N-piperidin-4-yl-5-propan-2-yl-1,2-thiazole-3-carboxamide?
N-piperidin-4-yl-5-propan-2-yl-1,2-thiazole-3-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-5-propan-2-yl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 145256407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).