3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide

C24H22N4O3S — CID 27453760

IUPAC3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide
SMILESCOc1ccc(NC(=O)Nc2nc(CCC(=O)Nc3cccc4ccccc34)cs2)cc1
InChIInChI=1S/C24H22N4O3S/c1-31-19-12-9-17(10-13-19)25-23(30)28-24-26-18(15-32-24)11-14-22(29)27-21-8-4-6-16-5-2-3-7-20(16)21/h2-10,12-13,15H,11,14H2,1H3,(H,27,29)(H2,25,26,28,30)
InChIKeyGPXZFKLVIYRKDQ-UHFFFAOYSA-N
MW446.53 g/mol
LogP5.52
Rot. Bonds7

About 3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide

3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide (PubChem CID 27453760) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide
PubChem CID27453760
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide
SMILESCOc1ccc(NC(=O)Nc2nc(CCC(=O)Nc3cccc4ccccc34)cs2)cc1
InChIInChI=1S/C24H22N4O3S/c1-31-19-12-9-17(10-13-19)25-23(30)28-24-26-18(15-32-24)11-14-22(29)27-21-8-4-6-16-5-2-3-7-20(16)21/h2-10,12-13,15H,11,14H2,1H3,(H,27,29)(H2,25,26,28,30)
InChIKeyGPXZFKLVIYRKDQ-UHFFFAOYSA-N
XLogP5.52
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.53
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453444
methyl 2-[3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 27453750
N-(3-methoxyphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453418
N-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
CID 27453781
N-(4-butylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
CID 27453716
3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide
CID 27453695
N-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453456
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 27453913
2-[(4-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide
CID 16948367
1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 27453540
N-(4-bromo-3-methylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453484
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 3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide?
The IUPAC name of 3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide (CID 27453760) is 3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide is COc1ccc(NC(=O)Nc2nc(CCC(=O)Nc3cccc4ccccc34)cs2)cc1.
What is the InChIKey of 3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide?
The InChIKey is GPXZFKLVIYRKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-31-19-12-9-17(10-13-19)25-23(30)28-24-26-18(15-32-24)11-14-22(29)27-21-8-4-6-16-5-2-3-7-20(16)21/h2-10,12-13,15H,11,14H2,1H3,(H,27,29)(H2,25,26,28,30).
What are the key properties of 3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide?
3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide has a molecular weight of 446.53 g/mol, XLogP of 5.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 27453760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).