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

C11H19N5O2S — CID 4819749

IUPACN-(propan-2-ylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)NC(=O)NC(=O)CSc1nncn1C(C)C
InChIInChI=1S/C11H19N5O2S/c1-7(2)13-10(18)14-9(17)5-19-11-15-12-6-16(11)8(3)4/h6-8H,5H2,1-4H3,(H2,13,14,17,18)
InChIKeyQVSKLBPZMRCZEM-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.19
Rot. Bonds5

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

N-(propan-2-ylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 4819749) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(propan-2-ylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(propan-2-ylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID4819749
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC NameN-(propan-2-ylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)NC(=O)NC(=O)CSc1nncn1C(C)C
InChIInChI=1S/C11H19N5O2S/c1-7(2)13-10(18)14-9(17)5-19-11-15-12-6-16(11)8(3)4/h6-8H,5H2,1-4H3,(H2,13,14,17,18)
InChIKeyQVSKLBPZMRCZEM-UHFFFAOYSA-N
XLogP1.19
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2374457
N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6464817
N-(cyclopentylcarbamoyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2515057
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 3903717
N-carbamoyl-3-methyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 16264678
2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8236257
2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8292561
2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8957872
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 41594101
N-(ethylcarbamoyl)-2-[[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 49582053
N-(ethylcarbamoyl)-2-[[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 49582068
2-[[5-(dimethylamino)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53589544

Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(propan-2-ylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 4819749) is N-(propan-2-ylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(propan-2-ylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(propan-2-ylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(C)NC(=O)NC(=O)CSc1nncn1C(C)C.
What is the InChIKey of N-(propan-2-ylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is QVSKLBPZMRCZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-7(2)13-10(18)14-9(17)5-19-11-15-12-6-16(11)8(3)4/h6-8H,5H2,1-4H3,(H2,13,14,17,18).
What are the key properties of N-(propan-2-ylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(propan-2-ylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 285.37 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 4819749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).