3-(butanoylamino)-N-(1,3-thiazol-2-yl)benzamide

C14H15N3O2S — CID 882378

IUPAC3-(butanoylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCCCC(=O)Nc1cccc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C14H15N3O2S/c1-2-4-12(18)16-11-6-3-5-10(9-11)13(19)17-14-15-7-8-20-14/h3,5-9H,2,4H2,1H3,(H,16,18)(H,15,17,19)
InChIKeyLUTDWNXPOQBLEQ-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.13
Rot. Bonds5

About 3-(butanoylamino)-N-(1,3-thiazol-2-yl)benzamide

3-(butanoylamino)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 882378) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-(butanoylamino)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(butanoylamino)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID882378
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name3-(butanoylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCCCC(=O)Nc1cccc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C14H15N3O2S/c1-2-4-12(18)16-11-6-3-5-10(9-11)13(19)17-14-15-7-8-20-14/h3,5-9H,2,4H2,1H3,(H,16,18)(H,15,17,19)
InChIKeyLUTDWNXPOQBLEQ-UHFFFAOYSA-N
XLogP3.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(butanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(butanoylamino)-N-(1,3-thiazol-2-yl)benzamide (CID 882378) is 3-(butanoylamino)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(butanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(butanoylamino)-N-(1,3-thiazol-2-yl)benzamide is CCCC(=O)Nc1cccc(C(=O)Nc2nccs2)c1.
What is the InChIKey of 3-(butanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is LUTDWNXPOQBLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-2-4-12(18)16-11-6-3-5-10(9-11)13(19)17-14-15-7-8-20-14/h3,5-9H,2,4H2,1H3,(H,16,18)(H,15,17,19).
What are the key properties of 3-(butanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
3-(butanoylamino)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 289.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butanoylamino)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 882378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).