3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C15H18N2O2S — CID 30854706

IUPAC3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cccc(OCC(C)C)c2)n1
InChIInChI=1S/C15H18N2O2S/c1-10(2)8-19-13-6-4-5-12(7-13)14(18)17-15-16-11(3)9-20-15/h4-7,9-10H,8H2,1-3H3,(H,16,17,18)
InChIKeyFXFUGNAAJNNWHX-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.74
Rot. Bonds5

About 3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 30854706) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID30854706
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cccc(OCC(C)C)c2)n1
InChIInChI=1S/C15H18N2O2S/c1-10(2)8-19-13-6-4-5-12(7-13)14(18)17-15-16-11(3)9-20-15/h4-7,9-10H,8H2,1-3H3,(H,16,17,18)
InChIKeyFXFUGNAAJNNWHX-UHFFFAOYSA-N
XLogP3.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 44572247
N-(4-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxybenzamide
CID 90596534
3-[(1-methyltetrazol-5-yl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 91946133
3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727275
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide
CID 4505881
3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 7770854
3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18096314
N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120568798
3-methoxy-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 17226207
4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 108742096
3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079530
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 60728209

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 30854706) is 3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cccc(OCC(C)C)c2)n1.
What is the InChIKey of 3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is FXFUGNAAJNNWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10(2)8-19-13-6-4-5-12(7-13)14(18)17-15-16-11(3)9-20-15/h4-7,9-10H,8H2,1-3H3,(H,16,17,18).
What are the key properties of 3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 290.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 30854706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).