N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide

C22H23N3OS — CID 119477493

IUPACN-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
SMILESNC1CCC(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C22H23N3OS/c23-17-11-13-18(14-12-17)24-21(26)20-19(15-7-3-1-4-8-15)25-22(27-20)16-9-5-2-6-10-16/h1-10,17-18H,11-14,23H2,(H,24,26)
InChIKeyHHPAKCIDZYBANZ-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.48
Rot. Bonds4

About N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide

N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide (PubChem CID 119477493) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
PubChem CID119477493
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC NameN-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
SMILESNC1CCC(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C22H23N3OS/c23-17-11-13-18(14-12-17)24-21(26)20-19(15-7-3-1-4-8-15)25-22(27-20)16-9-5-2-6-10-16/h1-10,17-18H,11-14,23H2,(H,24,26)
InChIKeyHHPAKCIDZYBANZ-UHFFFAOYSA-N
XLogP4.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071425
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119477613
N-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 119474665
2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119385843
N-[(3R)-2-oxoazepan-3-yl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 94130735
N-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 120557670
2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 47120010
2-amino-N-(1-benzylpiperidin-4-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115704
2,4-diphenyl-N-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 9083928
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119455202
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 18157740
N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride
CID 119474680

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide (CID 119477493) is N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide is NC1CCC(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The InChIKey is HHPAKCIDZYBANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c23-17-11-13-18(14-12-17)24-21(26)20-19(15-7-3-1-4-8-15)25-22(27-20)16-9-5-2-6-10-16/h1-10,17-18H,11-14,23H2,(H,24,26).
What are the key properties of N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide?
N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119477493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).