2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide

C8H12N2OS — CID 62185365

IUPAC2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESCC(C)C(=O)NCc1cscn1
InChIInChI=1S/C8H12N2OS/c1-6(2)8(11)9-3-7-4-12-5-10-7/h4-6H,3H2,1-2H3,(H,9,11)
InChIKeyYBCJYCQOYBYLMO-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.42
Rot. Bonds3

About 2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide

2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide (PubChem CID 62185365) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
PubChem CID62185365
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESCC(C)C(=O)NCc1cscn1
InChIInChI=1S/C8H12N2OS/c1-6(2)8(11)9-3-7-4-12-5-10-7/h4-6H,3H2,1-2H3,(H,9,11)
InChIKeyYBCJYCQOYBYLMO-UHFFFAOYSA-N
XLogP1.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride
CID 119868973
1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
CID 49483238
2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 55259705
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
(2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 46388467
3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 63824458
2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 63831536
3-chloro-N-[(2R)-1-oxo-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]benzamide
CID 46388457
N-(1,3-thiazol-4-ylmethyl)but-2-enamide
CID 78986565
2-methyl-4-(1,3-thiazol-4-ylmethylcarbamoylamino)butanoic acid
CID 80540931
3-methyl-2-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65226370
2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 75191814

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The IUPAC name of 2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide (CID 62185365) is 2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The canonical SMILES for 2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide is CC(C)C(=O)NCc1cscn1.
What is the InChIKey of 2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The InChIKey is YBCJYCQOYBYLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6(2)8(11)9-3-7-4-12-5-10-7/h4-6H,3H2,1-2H3,(H,9,11).
What are the key properties of 2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide has a molecular weight of 184.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide is sourced from PubChem (CID 62185365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).