N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine

C18H15F2N5O2S — CID 11596537

IUPACN-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCOc1ccc2nc(Nc3ncnc4ccc(OC(CF)CF)cc34)sc2n1
InChIInChI=1S/C18H15F2N5O2S/c1-26-15-5-4-14-17(24-15)28-18(23-14)25-16-12-6-10(27-11(7-19)8-20)2-3-13(12)21-9-22-16/h2-6,9,11H,7-8H2,1H3,(H,21,22,23,25)
InChIKeyORJCARGHXUVPPL-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.07
Rot. Bonds7

About N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine

N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 11596537) has the molecular formula C18H15F2N5O2S and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID11596537
Molecular FormulaC18H15F2N5O2S
Molecular Weight403.41 g/mol
Exact Mass403.09
IUPAC NameN-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCOc1ccc2nc(Nc3ncnc4ccc(OC(CF)CF)cc34)sc2n1
InChIInChI=1S/C18H15F2N5O2S/c1-26-15-5-4-14-17(24-15)28-18(23-14)25-16-12-6-10(27-11(7-19)8-20)2-3-13(12)21-9-22-16/h2-6,9,11H,7-8H2,1H3,(H,21,22,23,25)
InChIKeyORJCARGHXUVPPL-UHFFFAOYSA-N
XLogP4.07
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Trans-4-({4-[difluoro(4-Fluorophenyl)methyl]-6-[(5-Methoxy[1,3]thiazolo[5,4-B]pyridin-2-Yl)amino]pyrimidin-2-Yl}amino)cyclohexanol
CID 72706106
4-[[4-Benzyl-6-[(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 46913757
N-[4-(1,3-benzothiazol-2-yl)-2-fluorophenyl]-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 46225599
N-(4-(benzo[d]thiazol-2-yl)phenyl)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinazolin-4-amine
CID 46225612
N-[4-(1,3-benzothiazol-2-yl)-3-fluorophenyl]-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 46225632
N-[4-(1,3-benzothiazol-2-yl)-2-fluorophenyl]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 46225634
N-[4-(1,3-benzothiazol-2-yl)phenyl]-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 46225635
N-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 46225647
N-(4-(benzo[d]thiazol-2-yl)-3-fluorophenyl)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinazolin-4-amine
CID 46225663
(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxy-2-methylphenyl)-3-methylpiperazine-1-carboxamide
CID 71525653
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxy-2-methylphenyl)piperazine-1-carboxamide
CID 71572645
(3R)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxy-2-methylphenyl)-3-methylpiperazine-1-carboxamide
CID 117653382

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 11596537) is N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine is COc1ccc2nc(Nc3ncnc4ccc(OC(CF)CF)cc34)sc2n1.
What is the InChIKey of N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is ORJCARGHXUVPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O2S/c1-26-15-5-4-14-17(24-15)28-18(23-14)25-16-12-6-10(27-11(7-19)8-20)2-3-13(12)21-9-22-16/h2-6,9,11H,7-8H2,1H3,(H,21,22,23,25).
What are the key properties of N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 403.41 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 11596537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).