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

C8H12N2OS — CID 3550423

IUPAC2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(C)C)s1
InChIInChI=1S/C8H12N2OS/c1-5(2)7(11)10-8-9-4-6(3)12-8/h4-5H,1-3H3,(H,9,10,11)
InChIKeySNYWNKRAPHMEFC-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.05
Rot. Bonds2

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

2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 3550423) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID3550423
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(C)C)s1
InChIInChI=1S/C8H12N2OS/c1-5(2)7(11)10-8-9-4-6(3)12-8/h4-5H,1-3H3,(H,9,10,11)
InChIKeySNYWNKRAPHMEFC-UHFFFAOYSA-N
XLogP2.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 3550423) is 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)C(C)C)s1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is SNYWNKRAPHMEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-5(2)7(11)10-8-9-4-6(3)12-8/h4-5H,1-3H3,(H,9,10,11).
What are the key properties of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 184.26 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3550423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).