N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide

C9H14N2OS — CID 60773966

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc(CC)c(C)s1
InChIInChI=1S/C9H14N2OS/c1-4-7-6(3)13-9(10-7)11-8(12)5-2/h4-5H2,1-3H3,(H,10,11,12)
InChIKeyVINFKNQXVZBKNX-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.36
Rot. Bonds3

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 60773966) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID60773966
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc(CC)c(C)s1
InChIInChI=1S/C9H14N2OS/c1-4-7-6(3)13-9(10-7)11-8(12)5-2/h4-5H2,1-3H3,(H,10,11,12)
InChIKeyVINFKNQXVZBKNX-UHFFFAOYSA-N
XLogP2.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 676812
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide
CID 734076
N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 903546
N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 2304059
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3706069
N-(5-Acetyl-4-methyl-thiazol-2-yl)-2,2-dimethyl-propionamide
CID 733883
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 830648
N-(5-acetyl-4-methyl-2-thiazolyl)-2-methylpropanamide
CID 734580
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)pentanamide
CID 4457143
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 2849734
2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 3164323
N-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 16095810

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide (CID 60773966) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide is CCC(=O)Nc1nc(CC)c(C)s1.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is VINFKNQXVZBKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-4-7-6(3)13-9(10-7)11-8(12)5-2/h4-5H2,1-3H3,(H,10,11,12).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 198.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 60773966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).