N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide

C15H25N3O2S — CID 111475847

IUPACN-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCCc1nc(NC(=O)N2CCC(CO)CC2)sc1CC
InChIInChI=1S/C15H25N3O2S/c1-3-5-12-13(4-2)21-14(16-12)17-15(20)18-8-6-11(10-19)7-9-18/h11,19H,3-10H2,1-2H3,(H,16,17,20)
InChIKeyIVFIXIIGOTVEQY-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.89
Rot. Bonds5

About N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide

N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 111475847) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID111475847
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCCc1nc(NC(=O)N2CCC(CO)CC2)sc1CC
InChIInChI=1S/C15H25N3O2S/c1-3-5-12-13(4-2)21-14(16-12)17-15(20)18-8-6-11(10-19)7-9-18/h11,19H,3-10H2,1-2H3,(H,16,17,20)
InChIKeyIVFIXIIGOTVEQY-UHFFFAOYSA-N
XLogP2.89
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 47215175
1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 75424050
1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926677
3-cyclopropyl-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 56552336
(3S)-N-[5-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1-carboxamide
CID 145485919
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 86780246
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 47064687
4-(hydroxymethyl)-N-[7-methoxy-4-(oxan-4-yl)-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide
CID 86597284
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide
CID 166277331
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 55904017
(2R)-2-[2-[(5-ethyl-4-propyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94635770
4-(hydroxymethyl)-N-(7-methoxy-4-morpholin-4-yl-5,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide
CID 164738779

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide (CID 111475847) is N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide is CCCc1nc(NC(=O)N2CCC(CO)CC2)sc1CC.
What is the InChIKey of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is IVFIXIIGOTVEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-5-12-13(4-2)21-14(16-12)17-15(20)18-8-6-11(10-19)7-9-18/h11,19H,3-10H2,1-2H3,(H,16,17,20).
What are the key properties of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide?
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 311.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111475847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).