3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide

C20H19ClN4O2S — CID 27454022

IUPAC3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C20H19ClN4O2S/c1-13-4-2-6-15(10-13)22-18(26)9-8-17-12-28-20(24-17)25-19(27)23-16-7-3-5-14(21)11-16/h2-7,10-12H,8-9H2,1H3,(H,22,26)(H2,23,24,25,27)
InChIKeyZZUPMYFGXQPPPH-UHFFFAOYSA-N
MW414.92 g/mol
LogP5.32
Rot. Bonds6

About 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide

3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide (PubChem CID 27454022) has the molecular formula C20H19ClN4O2S and a molecular weight of 414.92 g/mol. Its IUPAC name is 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide
PubChem CID27454022
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC Name3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C20H19ClN4O2S/c1-13-4-2-6-15(10-13)22-18(26)9-8-17-12-28-20(24-17)25-19(27)23-16-7-3-5-14(21)11-16/h2-7,10-12H,8-9H2,1H3,(H,22,26)(H2,23,24,25,27)
InChIKeyZZUPMYFGXQPPPH-UHFFFAOYSA-N
XLogP5.32
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.92
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 27377304
N-(3-bromophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
CID 27454039
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 27453922
N-(3-chloro-4-fluorophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
CID 27454084
ethyl 4-[3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 27454070
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 27377318
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 27453913
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-(cyclohexylmethyl)propanamide
CID 27454132
N-(4-bromo-3-methylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453484
N-(3-methoxyphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453418
N-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453456

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide (CID 27454022) is 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c1.
What is the InChIKey of 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide?
The InChIKey is ZZUPMYFGXQPPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c1-13-4-2-6-15(10-13)22-18(26)9-8-17-12-28-20(24-17)25-19(27)23-16-7-3-5-14(21)11-16/h2-7,10-12H,8-9H2,1H3,(H,22,26)(H2,23,24,25,27).
What are the key properties of 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide?
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide has a molecular weight of 414.92 g/mol, XLogP of 5.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 27454022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).