ethane;2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-ol

C19H17FN4OS — CID 143712468

IUPACethane;2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-ol
SMILESCC.Oc1cc2nc(Nc3cccc(F)c3)ncc2cc1-c1nccs1
InChIInChI=1S/C17H11FN4OS.C2H6/c18-11-2-1-3-12(7-11)21-17-20-9-10-6-13(16-19-4-5-24-16)15(23)8-14(10)22-17;1-2/h1-9,23H,(H,20,21,22);1-2H3
InChIKeyQMPGECYSIXQKFT-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.37
Rot. Bonds3

About ethane;2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-ol

ethane;2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-ol (PubChem CID 143712468) has the molecular formula C19H17FN4OS and a molecular weight of 368.44 g/mol. Its IUPAC name is ethane;2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-ol.

Molecular Properties

Compound Nameethane;2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-ol
PubChem CID143712468
Molecular FormulaC19H17FN4OS
Molecular Weight368.44 g/mol
Exact Mass368.11
IUPAC Nameethane;2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-ol
SMILESCC.Oc1cc2nc(Nc3cccc(F)c3)ncc2cc1-c1nccs1
InChIInChI=1S/C17H11FN4OS.C2H6/c18-11-2-1-3-12(7-11)21-17-20-9-10-6-13(16-19-4-5-24-16)15(23)8-14(10)22-17;1-2/h1-9,23H,(H,20,21,22);1-2H3
InChIKeyQMPGECYSIXQKFT-UHFFFAOYSA-N
XLogP5.37
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-7-methyl-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 59452184
5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 20741341
7-(1-methylpiperidin-4-yl)oxy-N-[3-(1-methylpyrazol-4-yl)phenyl]-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 67102374
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10134251
N-[4-(difluoromethyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 59325616
N-[3-(oxan-4-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 44554608
N-[3-(5-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 59325342
N-[3-(4-methylsulfanylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10110093
N-(3-fluorophenyl)-7-piperazin-1-yloxy-6-pyridin-2-ylquinazolin-2-amine
CID 59325534
1-N-(3-nitrophenyl)-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine
CID 58932505
N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10157736
N-(3-fluorophenyl)-5-iodopyrimidin-2-amine
CID 116648839

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-ol?
The IUPAC name of ethane;2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-ol (CID 143712468) is ethane;2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-ol.
What is the SMILES notation for ethane;2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-ol?
The canonical SMILES for ethane;2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-ol is CC.Oc1cc2nc(Nc3cccc(F)c3)ncc2cc1-c1nccs1.
What is the InChIKey of ethane;2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-ol?
The InChIKey is QMPGECYSIXQKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4OS.C2H6/c18-11-2-1-3-12(7-11)21-17-20-9-10-6-13(16-19-4-5-24-16)15(23)8-14(10)22-17;1-2/h1-9,23H,(H,20,21,22);1-2H3.
What are the key properties of ethane;2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-ol?
ethane;2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-ol has a molecular weight of 368.44 g/mol, XLogP of 5.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-ol is sourced from PubChem (CID 143712468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).