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

C7H10N2OS — CID 131084438

IUPACN-(2-methyl-1,3-thiazol-5-yl)propanamide
SMILESCCC(=O)Nc1cnc(C)s1
InChIInChI=1S/C7H10N2OS/c1-3-6(10)9-7-4-8-5(2)11-7/h4H,3H2,1-2H3,(H,9,10)
InChIKeyQPMPNEJNKRAJLS-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.80
Rot. Bonds2

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

N-(2-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 131084438) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is N-(2-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID131084438
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC NameN-(2-methyl-1,3-thiazol-5-yl)propanamide
SMILESCCC(=O)Nc1cnc(C)s1
InChIInChI=1S/C7H10N2OS/c1-3-6(10)9-7-4-8-5(2)11-7/h4H,3H2,1-2H3,(H,9,10)
InChIKeyQPMPNEJNKRAJLS-UHFFFAOYSA-N
XLogP1.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-(2-methyl-1,3-thiazol-5-yl)propanamide (CID 131084438) is N-(2-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-(2-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-(2-methyl-1,3-thiazol-5-yl)propanamide is CCC(=O)Nc1cnc(C)s1.
What is the InChIKey of N-(2-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is QPMPNEJNKRAJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-3-6(10)9-7-4-8-5(2)11-7/h4H,3H2,1-2H3,(H,9,10).
What are the key properties of N-(2-methyl-1,3-thiazol-5-yl)propanamide?
N-(2-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 170.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 131084438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).