4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide

C15H18N2O3S — CID 2666591

IUPAC4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2nccs2)cc1OC
InChIInChI=1S/C15H18N2O3S/c1-3-4-8-20-12-6-5-11(10-13(12)19-2)14(18)17-15-16-7-9-21-15/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17,18)
InChIKeyWSKSDLVBBNNJAW-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.58
Rot. Bonds7

About 4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide

4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 2666591) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID2666591
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2nccs2)cc1OC
InChIInChI=1S/C15H18N2O3S/c1-3-4-8-20-12-6-5-11(10-13(12)19-2)14(18)17-15-16-7-9-21-15/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17,18)
InChIKeyWSKSDLVBBNNJAW-UHFFFAOYSA-N
XLogP3.58
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2083346
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 31038115
3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 15943256
3-ethoxy-4-(2-phenoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 2472295
4-hexoxy-3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55360863
N-(1,3-benzothiazol-2-yl)-4-butoxy-3-methoxybenzamide
CID 8882733
3-(3-aminoprop-1-ynyl)-4-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 61033326
4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
CID 60589873
3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 4797157
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551224
4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide
CID 26123508

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide (CID 2666591) is 4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide is CCCCOc1ccc(C(=O)Nc2nccs2)cc1OC.
What is the InChIKey of 4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is WSKSDLVBBNNJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-4-8-20-12-6-5-11(10-13(12)19-2)14(18)17-15-16-7-9-21-15/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17,18).
What are the key properties of 4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide?
4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 306.39 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2666591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).