2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide

C21H22N4O2S — CID 16948332

IUPAC2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)Nc2nc(C(=O)NCCCc3ccccc3)cs2)cc1
InChIInChI=1S/C21H22N4O2S/c1-15-9-11-17(12-10-15)23-20(27)25-21-24-18(14-28-21)19(26)22-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,22,26)(H2,23,24,25,27)
InChIKeyFOUHKLKPSSFFLE-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.46
Rot. Bonds7

About 2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide

2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 16948332) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID16948332
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)Nc2nc(C(=O)NCCCc3ccccc3)cs2)cc1
InChIInChI=1S/C21H22N4O2S/c1-15-9-11-17(12-10-15)23-20(27)25-21-24-18(14-28-21)19(26)22-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,22,26)(H2,23,24,25,27)
InChIKeyFOUHKLKPSSFFLE-UHFFFAOYSA-N
XLogP4.46
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chlorophenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 16948802
N-(4-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948187
2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3978833
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
CID 18567492
2-[(4-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide
CID 16948367
N-(2-methylpropyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948150
2-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 84555769
2-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 4030631
N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3974707
N-(4-methoxyphenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948355
2-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16948254
2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948235

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide (CID 16948332) is 2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide is Cc1ccc(NC(=O)Nc2nc(C(=O)NCCCc3ccccc3)cs2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FOUHKLKPSSFFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-15-9-11-17(12-10-15)23-20(27)25-21-24-18(14-28-21)19(26)22-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,22,26)(H2,23,24,25,27).
What are the key properties of 2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide?
2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 4.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16948332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).