N,N-diethyl-3-(4-methylphenyl)-5-phenyl-2-phenylimino-1,3-thiazole-4-carboxamide

C27H27N3OS — CID 5183904

IUPACN,N-diethyl-3-(4-methylphenyl)-5-phenyl-2-phenylimino-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1c(-c2ccccc2)s/c(=N\c2ccccc2)n1-c1ccc(C)cc1
InChIInChI=1S/C27H27N3OS/c1-4-29(5-2)26(31)24-25(21-12-8-6-9-13-21)32-27(28-22-14-10-7-11-15-22)30(24)23-18-16-20(3)17-19-23/h6-19H,4-5H2,1-3H3/b28-27-
InChIKeyGBUJKZFMFMWEDI-DQSJHHFOSA-N
MW441.60 g/mol
LogP6.23
Rot. Bonds6

About N,N-diethyl-3-(4-methylphenyl)-5-phenyl-2-phenylimino-1,3-thiazole-4-carboxamide

N,N-diethyl-3-(4-methylphenyl)-5-phenyl-2-phenylimino-1,3-thiazole-4-carboxamide (PubChem CID 5183904) has the molecular formula C27H27N3OS and a molecular weight of 441.60 g/mol. Its IUPAC name is N,N-diethyl-3-(4-methylphenyl)-5-phenyl-2-phenylimino-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-(4-methylphenyl)-5-phenyl-2-phenylimino-1,3-thiazole-4-carboxamide
PubChem CID5183904
Molecular FormulaC27H27N3OS
Molecular Weight441.60 g/mol
Exact Mass441.19
IUPAC NameN,N-diethyl-3-(4-methylphenyl)-5-phenyl-2-phenylimino-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1c(-c2ccccc2)s/c(=N\c2ccccc2)n1-c1ccc(C)cc1
InChIInChI=1S/C27H27N3OS/c1-4-29(5-2)26(31)24-25(21-12-8-6-9-13-21)32-27(28-22-14-10-7-11-15-22)30(24)23-18-16-20(3)17-19-23/h6-19H,4-5H2,1-3H3/b28-27-
InChIKeyGBUJKZFMFMWEDI-DQSJHHFOSA-N
XLogP6.23
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.60
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(4-methylphenyl)-5-phenyl-2-phenylimino-1,3-thiazole-4-carboxamide?
The IUPAC name of N,N-diethyl-3-(4-methylphenyl)-5-phenyl-2-phenylimino-1,3-thiazole-4-carboxamide (CID 5183904) is N,N-diethyl-3-(4-methylphenyl)-5-phenyl-2-phenylimino-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-3-(4-methylphenyl)-5-phenyl-2-phenylimino-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-3-(4-methylphenyl)-5-phenyl-2-phenylimino-1,3-thiazole-4-carboxamide is CCN(CC)C(=O)c1c(-c2ccccc2)s/c(=N\c2ccccc2)n1-c1ccc(C)cc1.
What is the InChIKey of N,N-diethyl-3-(4-methylphenyl)-5-phenyl-2-phenylimino-1,3-thiazole-4-carboxamide?
The InChIKey is GBUJKZFMFMWEDI-DQSJHHFOSA-N. The full InChI is InChI=1S/C27H27N3OS/c1-4-29(5-2)26(31)24-25(21-12-8-6-9-13-21)32-27(28-22-14-10-7-11-15-22)30(24)23-18-16-20(3)17-19-23/h6-19H,4-5H2,1-3H3/b28-27-.
What are the key properties of N,N-diethyl-3-(4-methylphenyl)-5-phenyl-2-phenylimino-1,3-thiazole-4-carboxamide?
N,N-diethyl-3-(4-methylphenyl)-5-phenyl-2-phenylimino-1,3-thiazole-4-carboxamide has a molecular weight of 441.60 g/mol, XLogP of 6.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(4-methylphenyl)-5-phenyl-2-phenylimino-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 5183904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).