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

C11H19N5O2S — CID 51107621

IUPACN-(ethylcarbamoyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCNC(=O)NC(=O)CSc1nnc(C(C)C)n1C
InChIInChI=1S/C11H19N5O2S/c1-5-12-10(18)13-8(17)6-19-11-15-14-9(7(2)3)16(11)4/h7H,5-6H2,1-4H3,(H2,12,13,17,18)
InChIKeyGZXTUXAEIOHZAM-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.88
Rot. Bonds5

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

N-(ethylcarbamoyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 51107621) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID51107621
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC NameN-(ethylcarbamoyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCNC(=O)NC(=O)CSc1nnc(C(C)C)n1C
InChIInChI=1S/C11H19N5O2S/c1-5-12-10(18)13-8(17)6-19-11-15-14-9(7(2)3)16(11)4/h7H,5-6H2,1-4H3,(H2,12,13,17,18)
InChIKeyGZXTUXAEIOHZAM-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 51107621) is N-(ethylcarbamoyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCNC(=O)NC(=O)CSc1nnc(C(C)C)n1C.
What is the InChIKey of N-(ethylcarbamoyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is GZXTUXAEIOHZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-5-12-10(18)13-8(17)6-19-11-15-14-9(7(2)3)16(11)4/h7H,5-6H2,1-4H3,(H2,12,13,17,18).
What are the key properties of N-(ethylcarbamoyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(ethylcarbamoyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 285.37 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 51107621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).