phenyl N-[4-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]carbamate

C23H19N3O2S — CID 135223192

IUPACphenyl N-[4-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]carbamate
SMILESCc1ccccc1-c1csc(Nc2ccc(NC(=O)Oc3ccccc3)cc2)n1
InChIInChI=1S/C23H19N3O2S/c1-16-7-5-6-10-20(16)21-15-29-22(26-21)24-17-11-13-18(14-12-17)25-23(27)28-19-8-3-2-4-9-19/h2-15H,1H3,(H,24,26)(H,25,27)
InChIKeyQVIKVPIBPLCYTD-UHFFFAOYSA-N
MW401.49 g/mol
LogP6.47
Rot. Bonds5

About phenyl N-[4-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]carbamate

phenyl N-[4-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]carbamate (PubChem CID 135223192) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is phenyl N-[4-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]carbamate
PubChem CID135223192
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC Namephenyl N-[4-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]carbamate
SMILESCc1ccccc1-c1csc(Nc2ccc(NC(=O)Oc3ccccc3)cc2)n1
InChIInChI=1S/C23H19N3O2S/c1-16-7-5-6-10-20(16)21-15-29-22(26-21)24-17-11-13-18(14-12-17)25-23(27)28-19-8-3-2-4-9-19/h2-15H,1H3,(H,24,26)(H,25,27)
InChIKeyQVIKVPIBPLCYTD-UHFFFAOYSA-N
XLogP6.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 135223031
[3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl] N-phenylcarbamate
CID 110492702
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 39016403
2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 78868970
phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate
CID 87406304
4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 157237511
1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 4182966
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 39011385
2-(2-methoxyethylamino)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119711421
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 75921279
6-chloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 39016010
4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962541

Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]carbamate?
The IUPAC name of phenyl N-[4-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]carbamate (CID 135223192) is phenyl N-[4-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]carbamate.
What is the SMILES notation for phenyl N-[4-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]carbamate?
The canonical SMILES for phenyl N-[4-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]carbamate is Cc1ccccc1-c1csc(Nc2ccc(NC(=O)Oc3ccccc3)cc2)n1.
What is the InChIKey of phenyl N-[4-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]carbamate?
The InChIKey is QVIKVPIBPLCYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-16-7-5-6-10-20(16)21-15-29-22(26-21)24-17-11-13-18(14-12-17)25-23(27)28-19-8-3-2-4-9-19/h2-15H,1H3,(H,24,26)(H,25,27).
What are the key properties of phenyl N-[4-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]carbamate?
phenyl N-[4-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]carbamate has a molecular weight of 401.49 g/mol, XLogP of 6.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]carbamate is sourced from PubChem (CID 135223192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).