N-[4-(difluoromethyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

C24H23F2N5OS — CID 59325616

IUPACN-[4-(difluoromethyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESCN1CCC(Oc2cc3nc(Nc4ccc(C(F)F)cc4)ncc3cc2-c2nccs2)CC1
InChIInChI=1S/C24H23F2N5OS/c1-31-9-6-18(7-10-31)32-21-13-20-16(12-19(21)23-27-8-11-33-23)14-28-24(30-20)29-17-4-2-15(3-5-17)22(25)26/h2-5,8,11-14,18,22H,6-7,9-10H2,1H3,(H,28,29,30)
InChIKeyNGDVAGDXODTXRK-UHFFFAOYSA-N
MW467.55 g/mol
LogP5.91
Rot. Bonds6

About N-[4-(difluoromethyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

N-[4-(difluoromethyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (PubChem CID 59325616) has the molecular formula C24H23F2N5OS and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[4-(difluoromethyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-[4-(difluoromethyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
PubChem CID59325616
Molecular FormulaC24H23F2N5OS
Molecular Weight467.55 g/mol
Exact Mass467.16
IUPAC NameN-[4-(difluoromethyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESCN1CCC(Oc2cc3nc(Nc4ccc(C(F)F)cc4)ncc3cc2-c2nccs2)CC1
InChIInChI=1S/C24H23F2N5OS/c1-31-9-6-18(7-10-31)32-21-13-20-16(12-19(21)23-27-8-11-33-23)14-28-24(30-20)29-17-4-2-15(3-5-17)22(25)26/h2-5,8,11-14,18,22H,6-7,9-10H2,1H3,(H,28,29,30)
InChIKeyNGDVAGDXODTXRK-UHFFFAOYSA-N
XLogP5.91
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(difluoromethyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine with MolForge

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Related Compounds

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-(5-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 59325342
N-[3-(oxan-4-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 44554608
N-[4-[(Z)-2-amino-4-iminobut-2-enyl]phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 143913449
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine
CID 175725425
ethane;2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-ol
CID 143712468
N-(3-fluorophenyl)-7-methyl-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 59452184
2-[3-methyl-4-(1-methylpiperidin-4-yl)oxyanilino]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 175961168
6-(5-cyclopentyl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 70934403
4-[[7-[(1-methylpiperidin-4-yl)amino]quinazolin-2-yl]amino]-N-propan-2-ylbenzamide
CID 67101940
2-ethynyl-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]benzoic acid
CID 91317630
N-(4-methylsulfonylphenyl)-7-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67102202

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The IUPAC name of N-[4-(difluoromethyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (CID 59325616) is N-[4-(difluoromethyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.
What is the SMILES notation for N-[4-(difluoromethyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The canonical SMILES for N-[4-(difluoromethyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is CN1CCC(Oc2cc3nc(Nc4ccc(C(F)F)cc4)ncc3cc2-c2nccs2)CC1.
What is the InChIKey of N-[4-(difluoromethyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The InChIKey is NGDVAGDXODTXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5OS/c1-31-9-6-18(7-10-31)32-21-13-20-16(12-19(21)23-27-8-11-33-23)14-28-24(30-20)29-17-4-2-15(3-5-17)22(25)26/h2-5,8,11-14,18,22H,6-7,9-10H2,1H3,(H,28,29,30).
What are the key properties of N-[4-(difluoromethyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
N-[4-(difluoromethyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine has a molecular weight of 467.55 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is sourced from PubChem (CID 59325616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).