4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexane-1-carboxylic acid

C18H18N4O2S — CID 118736864

IUPAC4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2ncnc3ccc(-c4cncs4)cc23)CC1
InChIInChI=1S/C18H18N4O2S/c23-18(24)11-1-4-13(5-2-11)22-17-14-7-12(16-8-19-10-25-16)3-6-15(14)20-9-21-17/h3,6-11,13H,1-2,4-5H2,(H,23,24)(H,20,21,22)
InChIKeyLVKIZZWITJCZAO-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.81
Rot. Bonds4

About 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexane-1-carboxylic acid

4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexane-1-carboxylic acid (PubChem CID 118736864) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexane-1-carboxylic acid
PubChem CID118736864
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2ncnc3ccc(-c4cncs4)cc23)CC1
InChIInChI=1S/C18H18N4O2S/c23-18(24)11-1-4-13(5-2-11)22-17-14-7-12(16-8-19-10-25-16)3-6-15(14)20-9-21-17/h3,6-11,13H,1-2,4-5H2,(H,23,24)(H,20,21,22)
InChIKeyLVKIZZWITJCZAO-UHFFFAOYSA-N
XLogP3.81
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

3-(2-Phenylthiazol-5-yl)-4-(2-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)thiazol-4-yl)butanoic acid
CID 10436174
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
N-methyl-4-[[8-methyl-6-(1,3-thiazol-5-yl)-2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexane-1-carboxamide
CID 118736882
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
4-[[6-(5-Thiazolyl)-4-quinazolinyl]amino]benzamide
CID 118736904
N-cyclopentyl-6-(5-thiazolyl)-4-quinazolinamine
CID 118736913
N-cyclohexyl-6-(5-thiazolyl)-4-quinazolinamine
CID 118736914
N-piperidin-4-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736990
N-(4-methylcyclohexyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736994
N-(3-methylcyclohexyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736997

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexane-1-carboxylic acid (CID 118736864) is 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Nc2ncnc3ccc(-c4cncs4)cc23)CC1.
What is the InChIKey of 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is LVKIZZWITJCZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-18(24)11-1-4-13(5-2-11)22-17-14-7-12(16-8-19-10-25-16)3-6-15(14)20-9-21-17/h3,6-11,13H,1-2,4-5H2,(H,23,24)(H,20,21,22).
What are the key properties of 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexane-1-carboxylic acid?
4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 354.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 118736864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).