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

C22H24N4O3S — CID 16897177

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2sc(NC(=O)Nc3cccc(C)c3)nc2C)cc1
InChIInChI=1S/C22H24N4O3S/c1-14-5-4-6-17(13-14)25-21(28)26-22-24-15(2)19(30-22)20(27)23-12-11-16-7-9-18(29-3)10-8-16/h4-10,13H,11-12H2,1-3H3,(H,23,27)(H2,24,25,26,28)
InChIKeySGWGODIAGXODSA-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.39
Rot. Bonds7

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

N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide (PubChem CID 16897177) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
PubChem CID16897177
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2sc(NC(=O)Nc3cccc(C)c3)nc2C)cc1
InChIInChI=1S/C22H24N4O3S/c1-14-5-4-6-17(13-14)25-21(28)26-22-24-15(2)19(30-22)20(27)23-12-11-16-7-9-18(29-3)10-8-16/h4-10,13H,11-12H2,1-3H3,(H,23,27)(H2,24,25,26,28)
InChIKeySGWGODIAGXODSA-UHFFFAOYSA-N
XLogP4.39
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16839644
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897039
N-[(4-chlorophenyl)methyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897163
N-(4-butylphenyl)-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897189
4-methyl-N-(4-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897185
N-(3-bromophenyl)-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897194
N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 16897898
4-methyl-2-[(3-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide
CID 16897211
2-[(3-chlorophenyl)carbamoylamino]-N-[2-(cyclohexen-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897441
4-methyl-N-(2-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897183
2-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16945117

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide (CID 16897177) is N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide is COc1ccc(CCNC(=O)c2sc(NC(=O)Nc3cccc(C)c3)nc2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide?
The InChIKey is SGWGODIAGXODSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-14-5-4-6-17(13-14)25-21(28)26-22-24-15(2)19(30-22)20(27)23-12-11-16-7-9-18(29-3)10-8-16/h4-10,13H,11-12H2,1-3H3,(H,23,27)(H2,24,25,26,28).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 4.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16897177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).