1-[(3-methylthiophen-2-yl)methyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

C16H24N4S — CID 53192770

IUPAC1-[(3-methylthiophen-2-yl)methyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCc1ccsc1CN1CCCC(c2nncn2C(C)C)C1
InChIInChI=1S/C16H24N4S/c1-12(2)20-11-17-18-16(20)14-5-4-7-19(9-14)10-15-13(3)6-8-21-15/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3
InChIKeyDLOKORYGRHSUPU-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.61
Rot. Bonds4

About 1-[(3-methylthiophen-2-yl)methyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

1-[(3-methylthiophen-2-yl)methyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (PubChem CID 53192770) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-[(3-methylthiophen-2-yl)methyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-[(3-methylthiophen-2-yl)methyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
PubChem CID53192770
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name1-[(3-methylthiophen-2-yl)methyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCc1ccsc1CN1CCCC(c2nncn2C(C)C)C1
InChIInChI=1S/C16H24N4S/c1-12(2)20-11-17-18-16(20)14-5-4-7-19(9-14)10-15-13(3)6-8-21-15/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3
InChIKeyDLOKORYGRHSUPU-UHFFFAOYSA-N
XLogP3.61
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (CID 53192770) is 1-[(3-methylthiophen-2-yl)methyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-[(3-methylthiophen-2-yl)methyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-[(3-methylthiophen-2-yl)methyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is Cc1ccsc1CN1CCCC(c2nncn2C(C)C)C1.
What is the InChIKey of 1-[(3-methylthiophen-2-yl)methyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is DLOKORYGRHSUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-12(2)20-11-17-18-16(20)14-5-4-7-19(9-14)10-15-13(3)6-8-21-15/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3.
What are the key properties of 1-[(3-methylthiophen-2-yl)methyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
1-[(3-methylthiophen-2-yl)methyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 304.46 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylthiophen-2-yl)methyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 53192770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).