2-cyclopentyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole

C17H25N5S — CID 56780661

IUPAC2-cyclopentyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1ncn(CC2CCCCN2Cc2csc(C3CCCC3)n2)n1
InChIInChI=1S/C17H25N5S/c1-2-6-14(5-1)17-20-15(11-23-17)9-21-8-4-3-7-16(21)10-22-13-18-12-19-22/h11-14,16H,1-10H2
InChIKeyOVAMFXFPQWJJCF-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.45
Rot. Bonds5

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

2-cyclopentyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 56780661) has the molecular formula C17H25N5S and a molecular weight of 331.49 g/mol. Its IUPAC name is 2-cyclopentyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopentyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID56780661
Molecular FormulaC17H25N5S
Molecular Weight331.49 g/mol
Exact Mass331.18
IUPAC Name2-cyclopentyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1ncn(CC2CCCCN2Cc2csc(C3CCCC3)n2)n1
InChIInChI=1S/C17H25N5S/c1-2-6-14(5-1)17-20-15(11-23-17)9-21-8-4-3-7-16(21)10-22-13-18-12-19-22/h11-14,16H,1-10H2
InChIKeyOVAMFXFPQWJJCF-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-cyclopentyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole (CID 56780661) is 2-cyclopentyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-cyclopentyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-cyclopentyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole is c1ncn(CC2CCCCN2Cc2csc(C3CCCC3)n2)n1.
What is the InChIKey of 2-cyclopentyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is OVAMFXFPQWJJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5S/c1-2-6-14(5-1)17-20-15(11-23-17)9-21-8-4-3-7-16(21)10-22-13-18-12-19-22/h11-14,16H,1-10H2.
What are the key properties of 2-cyclopentyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
2-cyclopentyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 331.49 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 56780661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).