N-cyclohexyl-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C18H25N5OS — CID 1455907

IUPACN-cyclohexyl-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccnc1
InChIInChI=1S/C18H25N5OS/c1-2-11-23-17(14-7-6-10-19-12-14)21-22-18(23)25-13-16(24)20-15-8-4-3-5-9-15/h6-7,10,12,15H,2-5,8-9,11,13H2,1H3,(H,20,24)
InChIKeyAJAMIOIGLSYZMX-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.29
Rot. Bonds7

About N-cyclohexyl-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-cyclohexyl-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 1455907) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID1455907
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-cyclohexyl-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccnc1
InChIInChI=1S/C18H25N5OS/c1-2-11-23-17(14-7-6-10-19-12-14)21-22-18(23)25-13-16(24)20-15-8-4-3-5-9-15/h6-7,10,12,15H,2-5,8-9,11,13H2,1H3,(H,20,24)
InChIKeyAJAMIOIGLSYZMX-UHFFFAOYSA-N
XLogP3.29
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 1455907) is N-cyclohexyl-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccnc1.
What is the InChIKey of N-cyclohexyl-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is AJAMIOIGLSYZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-2-11-23-17(14-7-6-10-19-12-14)21-22-18(23)25-13-16(24)20-15-8-4-3-5-9-15/h6-7,10,12,15H,2-5,8-9,11,13H2,1H3,(H,20,24).
What are the key properties of N-cyclohexyl-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-cyclohexyl-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 359.50 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 1455907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).