6-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinazolin-4-amine

C16H16FN5S — CID 136539907

IUPAC6-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinazolin-4-amine
SMILESFc1ccc2ncnc(NC3CCN(c4nccs4)CC3)c2c1
InChIInChI=1S/C16H16FN5S/c17-11-1-2-14-13(9-11)15(20-10-19-14)21-12-3-6-22(7-4-12)16-18-5-8-23-16/h1-2,5,8-10,12H,3-4,6-7H2,(H,19,20,21)
InChIKeyOQNIGZSHTIVQCX-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.31
Rot. Bonds3

About 6-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinazolin-4-amine

6-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinazolin-4-amine (PubChem CID 136539907) has the molecular formula C16H16FN5S and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinazolin-4-amine
PubChem CID136539907
Molecular FormulaC16H16FN5S
Molecular Weight329.40 g/mol
Exact Mass329.11
IUPAC Name6-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinazolin-4-amine
SMILESFc1ccc2ncnc(NC3CCN(c4nccs4)CC3)c2c1
InChIInChI=1S/C16H16FN5S/c17-11-1-2-14-13(9-11)15(20-10-19-14)21-12-3-6-22(7-4-12)16-18-5-8-23-16/h1-2,5,8-10,12H,3-4,6-7H2,(H,19,20,21)
InChIKeyOQNIGZSHTIVQCX-UHFFFAOYSA-N
XLogP3.31
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-fluoro-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]quinazolin-4-amine
CID 126853599
6-fluoro-N-(1-pyridin-2-ylazetidin-3-yl)quinazolin-4-amine
CID 146079954
6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine
CID 171359747
N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine
CID 86305598
2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934512
2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one
CID 126934861
4-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 71810066
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887875
2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 90446084
1-(4-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 90597494
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine
CID 171358732
6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine
CID 133377625

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinazolin-4-amine (CID 136539907) is 6-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinazolin-4-amine is Fc1ccc2ncnc(NC3CCN(c4nccs4)CC3)c2c1.
What is the InChIKey of 6-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinazolin-4-amine?
The InChIKey is OQNIGZSHTIVQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5S/c17-11-1-2-14-13(9-11)15(20-10-19-14)21-12-3-6-22(7-4-12)16-18-5-8-23-16/h1-2,5,8-10,12H,3-4,6-7H2,(H,19,20,21).
What are the key properties of 6-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinazolin-4-amine?
6-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinazolin-4-amine has a molecular weight of 329.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinazolin-4-amine is sourced from PubChem (CID 136539907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).