[4-[(4-cyclopentyltriazol-1-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

C17H23N5OS — CID 31018110

IUPAC[4-[(4-cyclopentyltriazol-1-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC(Cn2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C17H23N5OS/c23-17(16-11-24-12-18-16)21-7-5-13(6-8-21)9-22-10-15(19-20-22)14-3-1-2-4-14/h10-14H,1-9H2
InChIKeyVHGOGBCETUXBMO-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.94
Rot. Bonds4

About [4-[(4-cyclopentyltriazol-1-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

[4-[(4-cyclopentyltriazol-1-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 31018110) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is [4-[(4-cyclopentyltriazol-1-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(4-cyclopentyltriazol-1-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID31018110
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name[4-[(4-cyclopentyltriazol-1-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC(Cn2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C17H23N5OS/c23-17(16-11-24-12-18-16)21-7-5-13(6-8-21)9-22-10-15(19-20-22)14-3-1-2-4-14/h10-14H,1-9H2
InChIKeyVHGOGBCETUXBMO-UHFFFAOYSA-N
XLogP2.94
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(4-cyclopentyltriazol-1-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(4-cyclopentyltriazol-1-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-[(4-cyclopentyltriazol-1-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 31018110) is [4-[(4-cyclopentyltriazol-1-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-[(4-cyclopentyltriazol-1-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-[(4-cyclopentyltriazol-1-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCC(Cn2cc(C3CCCC3)nn2)CC1.
What is the InChIKey of [4-[(4-cyclopentyltriazol-1-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is VHGOGBCETUXBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c23-17(16-11-24-12-18-16)21-7-5-13(6-8-21)9-22-10-15(19-20-22)14-3-1-2-4-14/h10-14H,1-9H2.
What are the key properties of [4-[(4-cyclopentyltriazol-1-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[4-[(4-cyclopentyltriazol-1-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 345.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-cyclopentyltriazol-1-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 31018110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).