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

C19H18N2O3S — CID 53169243

IUPAC3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccc(OC)c3)sn2)cc1
InChIInChI=1S/C19H18N2O3S/c1-23-15-8-6-14(7-9-15)17-11-18(25-21-17)19(22)20-12-13-4-3-5-16(10-13)24-2/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyXKJMKEPOLMXOJH-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.76
Rot. Bonds6

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

3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-5-carboxamide (PubChem CID 53169243) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-5-carboxamide
PubChem CID53169243
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccc(OC)c3)sn2)cc1
InChIInChI=1S/C19H18N2O3S/c1-23-15-8-6-14(7-9-15)17-11-18(25-21-17)19(22)20-12-13-4-3-5-16(10-13)24-2/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyXKJMKEPOLMXOJH-UHFFFAOYSA-N
XLogP3.76
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethylphenyl)-N-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 152876598
4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 46395404
N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 46082949
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
5-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963569
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134795965
4-amino-5-N-benzyl-3-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53134282
1-[(3-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea;hydrochloride
CID 87406316
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-5-carboxamide (CID 53169243) is 3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCc3cccc(OC)c3)sn2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-5-carboxamide?
The InChIKey is XKJMKEPOLMXOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-23-15-8-6-14(7-9-15)17-11-18(25-21-17)19(22)20-12-13-4-3-5-16(10-13)24-2/h3-11H,12H2,1-2H3,(H,20,22).
What are the key properties of 3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-5-carboxamide?
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-5-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 53169243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).