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

C7H10N2OS — CID 3621821

IUPACN-(1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nccs1
InChIInChI=1S/C7H10N2OS/c1-2-3-6(10)9-7-8-4-5-11-7/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeyWMTBSFLGTUVUTO-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.88
Rot. Bonds3

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

N-(1,3-thiazol-2-yl)butanamide (PubChem CID 3621821) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)butanamide
PubChem CID3621821
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC NameN-(1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nccs1
InChIInChI=1S/C7H10N2OS/c1-2-3-6(10)9-7-8-4-5-11-7/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeyWMTBSFLGTUVUTO-UHFFFAOYSA-N
XLogP1.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of N-(1,3-thiazol-2-yl)butanamide (CID 3621821) is N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)butanamide is CCCC(=O)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is WMTBSFLGTUVUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-2-3-6(10)9-7-8-4-5-11-7/h4-5H,2-3H2,1H3,(H,8,9,10).
What are the key properties of N-(1,3-thiazol-2-yl)butanamide?
N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 170.24 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 3621821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).