N-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide

C22H24N4O3S — CID 27453781

IUPACN-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
SMILESCOc1ccc(NC(=O)Nc2nc(CCC(=O)Nc3cc(C)cc(C)c3)cs2)cc1
InChIInChI=1S/C22H24N4O3S/c1-14-10-15(2)12-18(11-14)23-20(27)9-6-17-13-30-22(25-17)26-21(28)24-16-4-7-19(29-3)8-5-16/h4-5,7-8,10-13H,6,9H2,1-3H3,(H,23,27)(H2,24,25,26,28)
InChIKeyTZIGSXSOBBYOPV-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.98
Rot. Bonds7

About N-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide

N-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide (PubChem CID 27453781) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
PubChem CID27453781
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
SMILESCOc1ccc(NC(=O)Nc2nc(CCC(=O)Nc3cc(C)cc(C)c3)cs2)cc1
InChIInChI=1S/C22H24N4O3S/c1-14-10-15(2)12-18(11-14)23-20(27)9-6-17-13-30-22(25-17)26-21(28)24-16-4-7-19(29-3)8-5-16/h4-5,7-8,10-13H,6,9H2,1-3H3,(H,23,27)(H2,24,25,26,28)
InChIKeyTZIGSXSOBBYOPV-UHFFFAOYSA-N
XLogP4.98
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 ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-butylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
CID 27453716
N-(3-methoxyphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453418
3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide
CID 27453760
methyl 2-[3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 27453750
3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide
CID 27453695
N-(4-bromo-3-methylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453484
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide
CID 27454022
N-[4-[3-(3,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208685
N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572007
N-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453456
N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
CID 26841689

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide (CID 27453781) is N-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide is COc1ccc(NC(=O)Nc2nc(CCC(=O)Nc3cc(C)cc(C)c3)cs2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide?
The InChIKey is TZIGSXSOBBYOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-14-10-15(2)12-18(11-14)23-20(27)9-6-17-13-30-22(25-17)26-21(28)24-16-4-7-19(29-3)8-5-16/h4-5,7-8,10-13H,6,9H2,1-3H3,(H,23,27)(H2,24,25,26,28).
What are the key properties of N-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide?
N-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide has a molecular weight of 424.53 g/mol, XLogP of 4.98, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 27453781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).