N,N-dicyclohexyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C16H26N4OS — CID 2391135

IUPACN,N-dicyclohexyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H26N4OS/c21-15(11-22-16-17-12-18-19-16)20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h12-14H,1-11H2,(H,17,18,19)
InChIKeyMCIHINOEJDDSKD-UHFFFAOYSA-N
MW322.48 g/mol
LogP3.39
Rot. Bonds5

About N,N-dicyclohexyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N,N-dicyclohexyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 2391135) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID2391135
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC NameN,N-dicyclohexyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H26N4OS/c21-15(11-22-16-17-12-18-19-16)20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h12-14H,1-11H2,(H,17,18,19)
InChIKeyMCIHINOEJDDSKD-UHFFFAOYSA-N
XLogP3.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N,N-dicyclohexyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 2391135) is N,N-dicyclohexyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is MCIHINOEJDDSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c21-15(11-22-16-17-12-18-19-16)20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h12-14H,1-11H2,(H,17,18,19).
What are the key properties of N,N-dicyclohexyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N,N-dicyclohexyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 322.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 2391135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).