N'-(2-methyl-1,3-thiazol-5-yl)propanediamide

C7H9N3O2S — CID 131203422

IUPACN'-(2-methyl-1,3-thiazol-5-yl)propanediamide
SMILESCc1ncc(NC(=O)CC(N)=O)s1
InChIInChI=1S/C7H9N3O2S/c1-4-9-3-7(13-4)10-6(12)2-5(8)11/h3H,2H2,1H3,(H2,8,11)(H,10,12)
InChIKeyAJBZIUURUDELKW-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.27
Rot. Bonds3

About N'-(2-methyl-1,3-thiazol-5-yl)propanediamide

N'-(2-methyl-1,3-thiazol-5-yl)propanediamide (PubChem CID 131203422) has the molecular formula C7H9N3O2S and a molecular weight of 199.23 g/mol. Its IUPAC name is N'-(2-methyl-1,3-thiazol-5-yl)propanediamide.

Molecular Properties

Compound NameN'-(2-methyl-1,3-thiazol-5-yl)propanediamide
PubChem CID131203422
Molecular FormulaC7H9N3O2S
Molecular Weight199.23 g/mol
Exact Mass199.04
IUPAC NameN'-(2-methyl-1,3-thiazol-5-yl)propanediamide
SMILESCc1ncc(NC(=O)CC(N)=O)s1
InChIInChI=1S/C7H9N3O2S/c1-4-9-3-7(13-4)10-6(12)2-5(8)11/h3H,2H2,1H3,(H2,8,11)(H,10,12)
InChIKeyAJBZIUURUDELKW-UHFFFAOYSA-N
XLogP0.27
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-1,3-thiazol-5-yl)propanediamide?
The IUPAC name of N'-(2-methyl-1,3-thiazol-5-yl)propanediamide (CID 131203422) is N'-(2-methyl-1,3-thiazol-5-yl)propanediamide.
What is the SMILES notation for N'-(2-methyl-1,3-thiazol-5-yl)propanediamide?
The canonical SMILES for N'-(2-methyl-1,3-thiazol-5-yl)propanediamide is Cc1ncc(NC(=O)CC(N)=O)s1.
What is the InChIKey of N'-(2-methyl-1,3-thiazol-5-yl)propanediamide?
The InChIKey is AJBZIUURUDELKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-4-9-3-7(13-4)10-6(12)2-5(8)11/h3H,2H2,1H3,(H2,8,11)(H,10,12).
What are the key properties of N'-(2-methyl-1,3-thiazol-5-yl)propanediamide?
N'-(2-methyl-1,3-thiazol-5-yl)propanediamide has a molecular weight of 199.23 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-1,3-thiazol-5-yl)propanediamide is sourced from PubChem (CID 131203422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).