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

C22H18N4O2S — CID 16948367

IUPAC2-[(4-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)Nc2nc(C(=O)Nc3cccc4ccccc34)cs2)cc1
InChIInChI=1S/C22H18N4O2S/c1-14-9-11-16(12-10-14)23-21(28)26-22-25-19(13-29-22)20(27)24-18-8-4-6-15-5-2-3-7-17(15)18/h2-13H,1H3,(H,24,27)(H2,23,25,26,28)
InChIKeyXWNYUGALDUIJRU-UHFFFAOYSA-N
MW402.48 g/mol
LogP5.50
Rot. Bonds4

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

2-[(4-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide (PubChem CID 16948367) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-[(4-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide
PubChem CID16948367
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC Name2-[(4-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)Nc2nc(C(=O)Nc3cccc4ccccc34)cs2)cc1
InChIInChI=1S/C22H18N4O2S/c1-14-9-11-16(12-10-14)23-21(28)26-22-25-19(13-29-22)20(27)24-18-8-4-6-15-5-2-3-7-17(15)18/h2-13H,1H3,(H,24,27)(H2,23,25,26,28)
InChIKeyXWNYUGALDUIJRU-UHFFFAOYSA-N
XLogP5.50
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948187
2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide
CID 16948837
N-(4-methoxyphenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948355
2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 16948332
N-(2-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948199
N-(2-carbamoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948581
2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide
CID 16897637
2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948235
N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948370
N-(4-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948502
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
N-(4-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948201

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide (CID 16948367) is 2-[(4-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide is Cc1ccc(NC(=O)Nc2nc(C(=O)Nc3cccc4ccccc34)cs2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide?
The InChIKey is XWNYUGALDUIJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-14-9-11-16(12-10-14)23-21(28)26-22-25-19(13-29-22)20(27)24-18-8-4-6-15-5-2-3-7-17(15)18/h2-13H,1H3,(H,24,27)(H2,23,25,26,28).
What are the key properties of 2-[(4-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide?
2-[(4-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 5.50, 4 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-naphthalen-1-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16948367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).