N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide

C23H23BrN2OS — CID 2195037

IUPACN-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
SMILESCc1sc(N(C(=O)C2CCCCC2)c2ccccc2Br)nc1-c1ccccc1
InChIInChI=1S/C23H23BrN2OS/c1-16-21(17-10-4-2-5-11-17)25-23(28-16)26(20-15-9-8-14-19(20)24)22(27)18-12-6-3-7-13-18/h2,4-5,8-11,14-15,18H,3,6-7,12-13H2,1H3
InChIKeyXTESAUVDNBEVME-UHFFFAOYSA-N
MW455.42 g/mol
LogP7.13
Rot. Bonds4

About N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide

N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide (PubChem CID 2195037) has the molecular formula C23H23BrN2OS and a molecular weight of 455.42 g/mol. Its IUPAC name is N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
PubChem CID2195037
Molecular FormulaC23H23BrN2OS
Molecular Weight455.42 g/mol
Exact Mass454.07
IUPAC NameN-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
SMILESCc1sc(N(C(=O)C2CCCCC2)c2ccccc2Br)nc1-c1ccccc1
InChIInChI=1S/C23H23BrN2OS/c1-16-21(17-10-4-2-5-11-17)25-23(28-16)26(20-15-9-8-14-19(20)24)22(27)18-12-6-3-7-13-18/h2,4-5,8-11,14-15,18H,3,6-7,12-13H2,1H3
InChIKeyXTESAUVDNBEVME-UHFFFAOYSA-N
XLogP7.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.42
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide (CID 2195037) is N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide is Cc1sc(N(C(=O)C2CCCCC2)c2ccccc2Br)nc1-c1ccccc1.
What is the InChIKey of N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is XTESAUVDNBEVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2OS/c1-16-21(17-10-4-2-5-11-17)25-23(28-16)26(20-15-9-8-14-19(20)24)22(27)18-12-6-3-7-13-18/h2,4-5,8-11,14-15,18H,3,6-7,12-13H2,1H3.
What are the key properties of N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 455.42 g/mol, XLogP of 7.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 2195037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).