N,4-dimethoxy-2-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide

C14H16N2O4S — CID 118609153

IUPACN,4-dimethoxy-2-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(-c2nc(OC)c(C(=O)N(C)OC)s2)c1
InChIInChI=1S/C14H16N2O4S/c1-16(20-4)14(17)11-12(19-3)15-13(21-11)9-6-5-7-10(8-9)18-2/h5-8H,1-4H3
InChIKeyVGEKKYXLIDDOIW-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.46
Rot. Bonds5

About N,4-dimethoxy-2-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide

N,4-dimethoxy-2-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 118609153) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N,4-dimethoxy-2-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethoxy-2-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID118609153
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN,4-dimethoxy-2-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(-c2nc(OC)c(C(=O)N(C)OC)s2)c1
InChIInChI=1S/C14H16N2O4S/c1-16(20-4)14(17)11-12(19-3)15-13(21-11)9-6-5-7-10(8-9)18-2/h5-8H,1-4H3
InChIKeyVGEKKYXLIDDOIW-UHFFFAOYSA-N
XLogP2.46
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenyl)-N,4-dimethoxy-N-methyl-1,3-thiazole-5-carboxamide
CID 118609202
2-(dimethylamino)-1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 143281589
1-[2-(3-bromophenyl)-4-methoxy-1,3-thiazol-5-yl]propan-1-one
CID 118609224
2-(3-methoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432630
1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
CID 82302253
[2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-pyrrol-1-ylmethanone
CID 129275217
1-[2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-3-methylbutan-1-one
CID 118609241
2-[5-bromo-2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84608422
5-methoxy-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole
CID 116887585
N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866037
1-(4-methoxy-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-1-one
CID 118609209
N-[(4-methoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329472

Frequently Asked Questions

What is the IUPAC name of N,4-dimethoxy-2-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethoxy-2-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide (CID 118609153) is N,4-dimethoxy-2-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethoxy-2-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethoxy-2-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide is COc1cccc(-c2nc(OC)c(C(=O)N(C)OC)s2)c1.
What is the InChIKey of N,4-dimethoxy-2-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VGEKKYXLIDDOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-16(20-4)14(17)11-12(19-3)15-13(21-11)9-6-5-7-10(8-9)18-2/h5-8H,1-4H3.
What are the key properties of N,4-dimethoxy-2-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide?
N,4-dimethoxy-2-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethoxy-2-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118609153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).