3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide

C15H18N2O3S — CID 46674292

IUPAC3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(C)cs2)ccc1OC(C)C
InChIInChI=1S/C15H18N2O3S/c1-9(2)20-12-6-5-11(7-13(12)19-4)14(18)17-15-16-10(3)8-21-15/h5-9H,1-4H3,(H,16,17,18)
InChIKeyIWCGEFSESDOBOZ-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.50
Rot. Bonds5

About 3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide

3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide (PubChem CID 46674292) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
PubChem CID46674292
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(C)cs2)ccc1OC(C)C
InChIInChI=1S/C15H18N2O3S/c1-9(2)20-12-6-5-11(7-13(12)19-4)14(18)17-15-16-10(3)8-21-15/h5-9H,1-4H3,(H,16,17,18)
InChIKeyIWCGEFSESDOBOZ-UHFFFAOYSA-N
XLogP3.50
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17425685
3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361583
3-acetamido-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110764330
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-phenylmethoxybenzamide
CID 2463682
N-(4-acetyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 26469303
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
4-(difluoromethoxy)-3-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863411
N-[4-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55789254
5-chloro-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-3-carboxamide
CID 47293511
3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
CID 46511812
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2679160

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide?
The IUPAC name of 3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide (CID 46674292) is 3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide is COc1cc(C(=O)Nc2nc(C)cs2)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide?
The InChIKey is IWCGEFSESDOBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-9(2)20-12-6-5-11(7-13(12)19-4)14(18)17-15-16-10(3)8-21-15/h5-9H,1-4H3,(H,16,17,18).
What are the key properties of 3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide?
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide has a molecular weight of 306.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 46674292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).