[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C19H27N5OS — CID 46997747

IUPAC[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCC(Cn2cc(C3CCCCC3)nn2)CC1
InChIInChI=1S/C19H27N5OS/c1-14-18(26-13-20-14)19(25)23-9-7-15(8-10-23)11-24-12-17(21-22-24)16-5-3-2-4-6-16/h12-13,15-16H,2-11H2,1H3
InChIKeyOUAZHLUWFLLNEP-UHFFFAOYSA-N
MW373.53 g/mol
LogP3.64
Rot. Bonds4

About [4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 46997747) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is [4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID46997747
Molecular FormulaC19H27N5OS
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC Name[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCC(Cn2cc(C3CCCCC3)nn2)CC1
InChIInChI=1S/C19H27N5OS/c1-14-18(26-13-20-14)19(25)23-9-7-15(8-10-23)11-24-12-17(21-22-24)16-5-3-2-4-6-16/h12-13,15-16H,2-11H2,1H3
InChIKeyOUAZHLUWFLLNEP-UHFFFAOYSA-N
XLogP3.64
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 46997747) is [4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1CCC(Cn2cc(C3CCCCC3)nn2)CC1.
What is the InChIKey of [4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is OUAZHLUWFLLNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5OS/c1-14-18(26-13-20-14)19(25)23-9-7-15(8-10-23)11-24-12-17(21-22-24)16-5-3-2-4-6-16/h12-13,15-16H,2-11H2,1H3.
What are the key properties of [4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 373.53 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 46997747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).