N-(4-ethyl-1,3-thiazol-2-yl)butanamide

C9H14N2OS — CID 87065374

IUPACN-(4-ethyl-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc(CC)cs1
InChIInChI=1S/C9H14N2OS/c1-3-5-8(12)11-9-10-7(4-2)6-13-9/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyPHOCJELOBSCURD-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.44
Rot. Bonds4

About N-(4-ethyl-1,3-thiazol-2-yl)butanamide

N-(4-ethyl-1,3-thiazol-2-yl)butanamide (PubChem CID 87065374) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-(4-ethyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(4-ethyl-1,3-thiazol-2-yl)butanamide
PubChem CID87065374
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-(4-ethyl-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc(CC)cs1
InChIInChI=1S/C9H14N2OS/c1-3-5-8(12)11-9-10-7(4-2)6-13-9/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyPHOCJELOBSCURD-UHFFFAOYSA-N
XLogP2.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide
CID 130668454
N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]butanamide
CID 123465394
N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
CID 10398016
N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 138577108
methyl 2-[2-(heptanoylamino)-1,3-thiazol-4-yl]acetate
CID 43431303
methyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62715992
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide
CID 17443412
3-[(4-ethyl-1,3-thiazol-2-yl)amino]-N-methylpropanamide
CID 62962639
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62715817
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide
CID 3681052

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of N-(4-ethyl-1,3-thiazol-2-yl)butanamide (CID 87065374) is N-(4-ethyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for N-(4-ethyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for N-(4-ethyl-1,3-thiazol-2-yl)butanamide is CCCC(=O)Nc1nc(CC)cs1.
What is the InChIKey of N-(4-ethyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is PHOCJELOBSCURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-3-5-8(12)11-9-10-7(4-2)6-13-9/h6H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of N-(4-ethyl-1,3-thiazol-2-yl)butanamide?
N-(4-ethyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 198.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 87065374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).