2-cyclopropyl-4-[[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole

C17H25N5S — CID 75502016

IUPAC2-cyclopropyl-4-[[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCC(C)n1cnnc1C1CCN(Cc2csc(C3CC3)n2)CC1
InChIInChI=1S/C17H25N5S/c1-12(2)22-11-18-20-16(22)13-5-7-21(8-6-13)9-15-10-23-17(19-15)14-3-4-14/h10-14H,3-9H2,1-2H3
InChIKeyWZUDSOGFVWYICG-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.57
Rot. Bonds5

About 2-cyclopropyl-4-[[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole

2-cyclopropyl-4-[[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 75502016) has the molecular formula C17H25N5S and a molecular weight of 331.49 g/mol. Its IUPAC name is 2-cyclopropyl-4-[[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopropyl-4-[[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID75502016
Molecular FormulaC17H25N5S
Molecular Weight331.49 g/mol
Exact Mass331.18
IUPAC Name2-cyclopropyl-4-[[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCC(C)n1cnnc1C1CCN(Cc2csc(C3CC3)n2)CC1
InChIInChI=1S/C17H25N5S/c1-12(2)22-11-18-20-16(22)13-5-7-21(8-6-13)9-15-10-23-17(19-15)14-3-4-14/h10-14H,3-9H2,1-2H3
InChIKeyWZUDSOGFVWYICG-UHFFFAOYSA-N
XLogP3.57
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-4-[[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

N-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328165
3-cyclobutyl-4-propan-2-yl-1,2,4-triazole
CID 115393971
5-bromo-N-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 171328422
2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 82278133
4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 50988293
N-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328418
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56812929
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-methylbutan-2-amine
CID 115625561
(2R)-N-cyclopropyl-2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide
CID 129490200
3-(4-tert-butylcyclohexyl)-4-propan-2-yl-1,2,4-triazole
CID 113301075
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 119908160
N-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 165434496

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-cyclopropyl-4-[[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 75502016) is 2-cyclopropyl-4-[[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-cyclopropyl-4-[[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-cyclopropyl-4-[[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole is CC(C)n1cnnc1C1CCN(Cc2csc(C3CC3)n2)CC1.
What is the InChIKey of 2-cyclopropyl-4-[[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is WZUDSOGFVWYICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5S/c1-12(2)22-11-18-20-16(22)13-5-7-21(8-6-13)9-15-10-23-17(19-15)14-3-4-14/h10-14H,3-9H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-[[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole?
2-cyclopropyl-4-[[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 331.49 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 75502016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).