N-methyl-4-[[8-methyl-6-(1,3-thiazol-5-yl)-2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexane-1-carboxamide

C21H22F3N5OS — CID 118736882

IUPACN-methyl-4-[[8-methyl-6-(1,3-thiazol-5-yl)-2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(Nc2nc(C(F)(F)F)nc3c(C)cc(-c4cncs4)cc23)CC1
InChIInChI=1S/C21H22F3N5OS/c1-11-7-13(16-9-26-10-31-16)8-15-17(11)28-20(21(22,23)24)29-18(15)27-14-5-3-12(4-6-14)19(30)25-2/h7-10,12,14H,3-6H2,1-2H3,(H,25,30)(H,27,28,29)
InChIKeyAEOVRVHUZLTCMU-UHFFFAOYSA-N
MW449.50 g/mol
LogP4.80
Rot. Bonds4

About N-methyl-4-[[8-methyl-6-(1,3-thiazol-5-yl)-2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexane-1-carboxamide

N-methyl-4-[[8-methyl-6-(1,3-thiazol-5-yl)-2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexane-1-carboxamide (PubChem CID 118736882) has the molecular formula C21H22F3N5OS and a molecular weight of 449.50 g/mol. Its IUPAC name is N-methyl-4-[[8-methyl-6-(1,3-thiazol-5-yl)-2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[8-methyl-6-(1,3-thiazol-5-yl)-2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexane-1-carboxamide
PubChem CID118736882
Molecular FormulaC21H22F3N5OS
Molecular Weight449.50 g/mol
Exact Mass449.15
IUPAC NameN-methyl-4-[[8-methyl-6-(1,3-thiazol-5-yl)-2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(Nc2nc(C(F)(F)F)nc3c(C)cc(-c4cncs4)cc23)CC1
InChIInChI=1S/C21H22F3N5OS/c1-11-7-13(16-9-26-10-31-16)8-15-17(11)28-20(21(22,23)24)29-18(15)27-14-5-3-12(4-6-14)19(30)25-2/h7-10,12,14H,3-6H2,1-2H3,(H,25,30)(H,27,28,29)
InChIKeyAEOVRVHUZLTCMU-UHFFFAOYSA-N
XLogP4.80
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-4-[[8-methyl-6-(1,3-thiazol-5-yl)-2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(pyrimidin-4-ylamino)-N-(4-(3-(trifluoromethyl)phenyl)thiazol-2-yl)benzamide
CID 11626366
N-(4-(2-fluoro-3-isobutylphenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 44442630
3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(1,3-thiazol-5-ylmethyl)propanamide
CID 53237781
4-[[6-(1,3-Thiazol-5-yl)quinazolin-4-yl]amino]cyclohexane-1-carboxylic acid
CID 118736864
N-isopropyl-6-(thiazol-5-yl)quinazolin-4-amine
CID 118736868
4-[[6-(5-Thiazolyl)-8-(trifluoromethyl)-4-quinazolinyl]amino]benzamide
CID 118736875
N-methyl-4-[[2-methyl-6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexane-1-carboxamide
CID 118736881
4-[[2,8-dimethyl-6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]-N-methylcyclohexane-1-carboxamide
CID 118736883
N-phenyl-6-(5-thiazolyl)-4-quinazolinamine
CID 118736889
N-(4-fluorophenyl)-6-(5-thiazolyl)-4-quinazolinamine
CID 118736894
N-(3-fluorophenyl)-6-(5-thiazolyl)-4-quinazolinamine
CID 118736895
N-(2-fluorophenyl)-6-(5-thiazolyl)-4-quinazolinamine
CID 118736896

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[8-methyl-6-(1,3-thiazol-5-yl)-2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N-methyl-4-[[8-methyl-6-(1,3-thiazol-5-yl)-2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexane-1-carboxamide (CID 118736882) is N-methyl-4-[[8-methyl-6-(1,3-thiazol-5-yl)-2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-4-[[8-methyl-6-(1,3-thiazol-5-yl)-2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-4-[[8-methyl-6-(1,3-thiazol-5-yl)-2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexane-1-carboxamide is CNC(=O)C1CCC(Nc2nc(C(F)(F)F)nc3c(C)cc(-c4cncs4)cc23)CC1.
What is the InChIKey of N-methyl-4-[[8-methyl-6-(1,3-thiazol-5-yl)-2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexane-1-carboxamide?
The InChIKey is AEOVRVHUZLTCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5OS/c1-11-7-13(16-9-26-10-31-16)8-15-17(11)28-20(21(22,23)24)29-18(15)27-14-5-3-12(4-6-14)19(30)25-2/h7-10,12,14H,3-6H2,1-2H3,(H,25,30)(H,27,28,29).
What are the key properties of N-methyl-4-[[8-methyl-6-(1,3-thiazol-5-yl)-2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexane-1-carboxamide?
N-methyl-4-[[8-methyl-6-(1,3-thiazol-5-yl)-2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 449.50 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[8-methyl-6-(1,3-thiazol-5-yl)-2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 118736882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).