4-(1,3-thiazol-5-yl)butanamide

C7H10N2OS — CID 66579232

IUPAC4-(1,3-thiazol-5-yl)butanamide
SMILESNC(=O)CCCc1cncs1
InChIInChI=1S/C7H10N2OS/c8-7(10)3-1-2-6-4-9-5-11-6/h4-5H,1-3H2,(H2,8,10)
InChIKeyIHPORUCFUXTGDD-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.95
Rot. Bonds4

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

4-(1,3-thiazol-5-yl)butanamide (PubChem CID 66579232) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 4-(1,3-thiazol-5-yl)butanamide.

Molecular Properties

Compound Name4-(1,3-thiazol-5-yl)butanamide
PubChem CID66579232
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name4-(1,3-thiazol-5-yl)butanamide
SMILESNC(=O)CCCc1cncs1
InChIInChI=1S/C7H10N2OS/c8-7(10)3-1-2-6-4-9-5-11-6/h4-5H,1-3H2,(H2,8,10)
InChIKeyIHPORUCFUXTGDD-UHFFFAOYSA-N
XLogP0.95
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-thiazol-5-yl)propanoic acid
CID 45121677
1-(1,3-thiazol-5-yl)hexan-3-one
CID 112641236
5-(4-chlorobutyl)-1,3-thiazole
CID 112644725
2-[2-(1,3-thiazol-5-yl)ethyl]guanidine
CID 141083640
1-phenyl-3-(1,3-thiazol-5-yl)propan-1-one
CID 112641235
(4-nitrophenyl) 4-(1,3-thiazol-5-yl)butanoate
CID 118328099
3-methyl-3-(1,3-thiazol-5-ylmethylamino)butanamide
CID 106096039
2-(1,3-thiazol-5-yl)ethanethioamide
CID 112640496
4-(3,5-dimethyl-4-pyridinyl)butanamide
CID 173252398
2-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]acetamide
CID 62759264
1-phenyl-4-(1,3-thiazol-5-yl)butan-1-ol
CID 112644716
1-(1,3-thiazol-5-yl)hexan-3-ol
CID 19417357

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-5-yl)butanamide?
The IUPAC name of 4-(1,3-thiazol-5-yl)butanamide (CID 66579232) is 4-(1,3-thiazol-5-yl)butanamide.
What is the SMILES notation for 4-(1,3-thiazol-5-yl)butanamide?
The canonical SMILES for 4-(1,3-thiazol-5-yl)butanamide is NC(=O)CCCc1cncs1.
What is the InChIKey of 4-(1,3-thiazol-5-yl)butanamide?
The InChIKey is IHPORUCFUXTGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c8-7(10)3-1-2-6-4-9-5-11-6/h4-5H,1-3H2,(H2,8,10).
What are the key properties of 4-(1,3-thiazol-5-yl)butanamide?
4-(1,3-thiazol-5-yl)butanamide has a molecular weight of 170.24 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-5-yl)butanamide is sourced from PubChem (CID 66579232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).