N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C12H17N5OS2 — CID 118784193

IUPACN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1csc(CCCNC(=O)CSc2nncn2C)n1
InChIInChI=1S/C12H17N5OS2/c1-9-6-19-11(15-9)4-3-5-13-10(18)7-20-12-16-14-8-17(12)2/h6,8H,3-5,7H2,1-2H3,(H,13,18)
InChIKeyVMIAPNZBLJNOGV-UHFFFAOYSA-N
MW311.44 g/mol
LogP1.42
Rot. Bonds7

About N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 118784193) has the molecular formula C12H17N5OS2 and a molecular weight of 311.44 g/mol. Its IUPAC name is N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID118784193
Molecular FormulaC12H17N5OS2
Molecular Weight311.44 g/mol
Exact Mass311.09
IUPAC NameN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1csc(CCCNC(=O)CSc2nncn2C)n1
InChIInChI=1S/C12H17N5OS2/c1-9-6-19-11(15-9)4-3-5-13-10(18)7-20-12-16-14-8-17(12)2/h6,8H,3-5,7H2,1-2H3,(H,13,18)
InChIKeyVMIAPNZBLJNOGV-UHFFFAOYSA-N
XLogP1.42
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 118784193) is N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1csc(CCCNC(=O)CSc2nncn2C)n1.
What is the InChIKey of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is VMIAPNZBLJNOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS2/c1-9-6-19-11(15-9)4-3-5-13-10(18)7-20-12-16-14-8-17(12)2/h6,8H,3-5,7H2,1-2H3,(H,13,18).
What are the key properties of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 311.44 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 118784193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).