N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C24H22N2O3S2 — CID 46564945

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2csc(-c3cccs3)n2)ccc1OCc1ccccc1
InChIInChI=1S/C24H22N2O3S2/c1-26(24(27)19-16-31-23(25-19)22-9-6-12-30-22)14-18-10-11-20(21(13-18)28-2)29-15-17-7-4-3-5-8-17/h3-13,16H,14-15H2,1-2H3
InChIKeyQFLFBSQUNQZVRR-UHFFFAOYSA-N
MW450.59 g/mol
LogP5.73
Rot. Bonds8

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 46564945) has the molecular formula C24H22N2O3S2 and a molecular weight of 450.59 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID46564945
Molecular FormulaC24H22N2O3S2
Molecular Weight450.59 g/mol
Exact Mass450.11
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2csc(-c3cccs3)n2)ccc1OCc1ccccc1
InChIInChI=1S/C24H22N2O3S2/c1-26(24(27)19-16-31-23(25-19)22-9-6-12-30-22)14-18-10-11-20(21(13-18)28-2)29-15-17-7-4-3-5-8-17/h3-13,16H,14-15H2,1-2H3
InChIKeyQFLFBSQUNQZVRR-UHFFFAOYSA-N
XLogP5.73
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067249
N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46165090
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9403922
N-benzyl-2-[2-[(3,5-difluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46067384
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide
CID 9468010
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-phenylmethoxybenzamide
CID 8933781
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 27781154
N-benzyl-2-[(2,6-dimethoxyphenoxy)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46003452
2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 43072331
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 51217667
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 27856730
N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 134058808

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 46564945) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is COc1cc(CN(C)C(=O)c2csc(-c3cccs3)n2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is QFLFBSQUNQZVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S2/c1-26(24(27)19-16-31-23(25-19)22-9-6-12-30-22)14-18-10-11-20(21(13-18)28-2)29-15-17-7-4-3-5-8-17/h3-13,16H,14-15H2,1-2H3.
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 450.59 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46564945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).