N-carbamoyl-3-methyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide

C11H19N5O2S — CID 42903805

IUPACN-carbamoyl-3-methyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide
SMILESCC(C)c1nc(SC(C(=O)NC(N)=O)C(C)C)n[nH]1
InChIInChI=1S/C11H19N5O2S/c1-5(2)7(9(17)14-10(12)18)19-11-13-8(6(3)4)15-16-11/h5-7H,1-4H3,(H,13,15,16)(H3,12,14,17,18)
InChIKeyXLZJLPJDGWQQMY-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.24
Rot. Bonds5

About N-carbamoyl-3-methyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide

N-carbamoyl-3-methyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide (PubChem CID 42903805) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-carbamoyl-3-methyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide.

Molecular Properties

Compound NameN-carbamoyl-3-methyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide
PubChem CID42903805
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC NameN-carbamoyl-3-methyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide
SMILESCC(C)c1nc(SC(C(=O)NC(N)=O)C(C)C)n[nH]1
InChIInChI=1S/C11H19N5O2S/c1-5(2)7(9(17)14-10(12)18)19-11-13-8(6(3)4)15-16-11/h5-7H,1-4H3,(H,13,15,16)(H3,12,14,17,18)
InChIKeyXLZJLPJDGWQQMY-UHFFFAOYSA-N
XLogP1.24
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-methyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide?
The IUPAC name of N-carbamoyl-3-methyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide (CID 42903805) is N-carbamoyl-3-methyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide.
What is the SMILES notation for N-carbamoyl-3-methyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide?
The canonical SMILES for N-carbamoyl-3-methyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide is CC(C)c1nc(SC(C(=O)NC(N)=O)C(C)C)n[nH]1.
What is the InChIKey of N-carbamoyl-3-methyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide?
The InChIKey is XLZJLPJDGWQQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-5(2)7(9(17)14-10(12)18)19-11-13-8(6(3)4)15-16-11/h5-7H,1-4H3,(H,13,15,16)(H3,12,14,17,18).
What are the key properties of N-carbamoyl-3-methyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide?
N-carbamoyl-3-methyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide has a molecular weight of 285.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-methyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide is sourced from PubChem (CID 42903805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).