N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide

C9H14N2OS — CID 3614282

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C9H14N2OS/c1-4-5-8(12)11-9-10-6(2)7(3)13-9/h4-5H2,1-3H3,(H,10,11,12)
InChIKeyWHEZAYMHHVMZIU-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.50
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide (PubChem CID 3614282) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
PubChem CID3614282
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C9H14N2OS/c1-4-5-8(12)11-9-10-6(2)7(3)13-9/h4-5H2,1-3H3,(H,10,11,12)
InChIKeyWHEZAYMHHVMZIU-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide (CID 3614282) is N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide is CCCC(=O)Nc1nc(C)c(C)s1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is WHEZAYMHHVMZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-4-5-8(12)11-9-10-6(2)7(3)13-9/h4-5H2,1-3H3,(H,10,11,12).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 198.29 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 3614282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).