N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]propanamide

C18H27N5OS — CID 91837764

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]propanamide
SMILESCc1csc(NC(=O)C(C)N2CCC(c3nccn3C(C)C)CC2)n1
InChIInChI=1S/C18H27N5OS/c1-12(2)23-10-7-19-16(23)15-5-8-22(9-6-15)14(4)17(24)21-18-20-13(3)11-25-18/h7,10-12,14-15H,5-6,8-9H2,1-4H3,(H,20,21,24)
InChIKeyOPFUYSPKWLZQLS-UHFFFAOYSA-N
MW361.52 g/mol
LogP3.44
Rot. Bonds5

About N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]propanamide

N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]propanamide (PubChem CID 91837764) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]propanamide
PubChem CID91837764
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]propanamide
SMILESCc1csc(NC(=O)C(C)N2CCC(c3nccn3C(C)C)CC2)n1
InChIInChI=1S/C18H27N5OS/c1-12(2)23-10-7-19-16(23)15-5-8-22(9-6-15)14(4)17(24)21-18-20-13(3)11-25-18/h7,10-12,14-15H,5-6,8-9H2,1-4H3,(H,20,21,24)
InChIKeyOPFUYSPKWLZQLS-UHFFFAOYSA-N
XLogP3.44
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-2-piperazin-1-ylpropanamide
CID 43130749
N-(4-methyl-1,3-thiazol-2-yl)-1-[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidine-4-carboxamide
CID 51961435
(2S)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 97313518
(2R)-2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 129426812
(2S)-2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 124757710
1-[1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55815880
(2R)-2-(methylamino)-2-phenyl-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
CID 97270242
2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 46797593
2-methyl-4-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
CID 72919107
(2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
CID 97140073
1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
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2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]propanamide (CID 91837764) is N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]propanamide is Cc1csc(NC(=O)C(C)N2CCC(c3nccn3C(C)C)CC2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]propanamide?
The InChIKey is OPFUYSPKWLZQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-12(2)23-10-7-19-16(23)15-5-8-22(9-6-15)14(4)17(24)21-18-20-13(3)11-25-18/h7,10-12,14-15H,5-6,8-9H2,1-4H3,(H,20,21,24).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]propanamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]propanamide has a molecular weight of 361.52 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 91837764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).