N-cyclopropyl-2-[[5-(5-methylthiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide

C15H20N4OS2 — CID 6467201

IUPACN-cyclopropyl-2-[[5-(5-methylthiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1cc(-c2nnc(SCC(=O)NC3CC3)n2C(C)C)cs1
InChIInChI=1S/C15H20N4OS2/c1-9(2)19-14(11-6-10(3)21-7-11)17-18-15(19)22-8-13(20)16-12-4-5-12/h6-7,9,12H,4-5,8H2,1-3H3,(H,16,20)
InChIKeyWIIJRAVZKLUHPM-UHFFFAOYSA-N
MW336.49 g/mol
LogP3.27
Rot. Bonds6

About N-cyclopropyl-2-[[5-(5-methylthiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-cyclopropyl-2-[[5-(5-methylthiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 6467201) has the molecular formula C15H20N4OS2 and a molecular weight of 336.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[[5-(5-methylthiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[5-(5-methylthiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID6467201
Molecular FormulaC15H20N4OS2
Molecular Weight336.49 g/mol
Exact Mass336.11
IUPAC NameN-cyclopropyl-2-[[5-(5-methylthiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1cc(-c2nnc(SCC(=O)NC3CC3)n2C(C)C)cs1
InChIInChI=1S/C15H20N4OS2/c1-9(2)19-14(11-6-10(3)21-7-11)17-18-15(19)22-8-13(20)16-12-4-5-12/h6-7,9,12H,4-5,8H2,1-3H3,(H,16,20)
InChIKeyWIIJRAVZKLUHPM-UHFFFAOYSA-N
XLogP3.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[5-(5-methylthiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[[5-(5-methylthiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 6467201) is N-cyclopropyl-2-[[5-(5-methylthiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[5-(5-methylthiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[5-(5-methylthiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide is Cc1cc(-c2nnc(SCC(=O)NC3CC3)n2C(C)C)cs1.
What is the InChIKey of N-cyclopropyl-2-[[5-(5-methylthiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is WIIJRAVZKLUHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS2/c1-9(2)19-14(11-6-10(3)21-7-11)17-18-15(19)22-8-13(20)16-12-4-5-12/h6-7,9,12H,4-5,8H2,1-3H3,(H,16,20).
What are the key properties of N-cyclopropyl-2-[[5-(5-methylthiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-cyclopropyl-2-[[5-(5-methylthiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 336.49 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[5-(5-methylthiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 6467201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).