N-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide

C21H22N4O2S — CID 27453456

IUPACN-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
SMILESCc1ccc(NC(=O)CCc2csc(NC(=O)Nc3ccccc3)n2)c(C)c1
InChIInChI=1S/C21H22N4O2S/c1-14-8-10-18(15(2)12-14)24-19(26)11-9-17-13-28-21(23-17)25-20(27)22-16-6-4-3-5-7-16/h3-8,10,12-13H,9,11H2,1-2H3,(H,24,26)(H2,22,23,25,27)
InChIKeyUGFGDARKTUBFJD-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.98
Rot. Bonds6

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

N-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide (PubChem CID 27453456) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
PubChem CID27453456
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
SMILESCc1ccc(NC(=O)CCc2csc(NC(=O)Nc3ccccc3)n2)c(C)c1
InChIInChI=1S/C21H22N4O2S/c1-14-8-10-18(15(2)12-14)24-19(26)11-9-17-13-28-21(23-17)25-20(27)22-16-6-4-3-5-7-16/h3-8,10,12-13H,9,11H2,1-2H3,(H,24,26)(H2,22,23,25,27)
InChIKeyUGFGDARKTUBFJD-UHFFFAOYSA-N
XLogP4.98
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453444
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-(2,4-dimethylphenyl)acetamide
CID 26841697
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide
CID 27454022
N-(3-methoxyphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453418
N-(4-bromo-2-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211289
3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide
CID 27453760
N-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
CID 27453781
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453324
N-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453362
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 27377304
methyl 2-[3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 27453750

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide (CID 27453456) is N-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide is Cc1ccc(NC(=O)CCc2csc(NC(=O)Nc3ccccc3)n2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide?
The InChIKey is UGFGDARKTUBFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-14-8-10-18(15(2)12-14)24-19(26)11-9-17-13-28-21(23-17)25-20(27)22-16-6-4-3-5-7-16/h3-8,10,12-13H,9,11H2,1-2H3,(H,24,26)(H2,22,23,25,27).
What are the key properties of N-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide?
N-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide has a molecular weight of 394.50 g/mol, XLogP of 4.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 27453456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).