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

C20H12FN5OS — CID 11531212

IUPACN-[6-(2-fluorophenoxy)quinazolin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESFc1ccccc1Oc1ccc2ncnc(Nc3nc4cccnc4s3)c2c1
InChIInChI=1S/C20H12FN5OS/c21-14-4-1-2-6-17(14)27-12-7-8-15-13(10-12)18(24-11-23-15)26-20-25-16-5-3-9-22-19(16)28-20/h1-11H,(H,23,24,25,26)
InChIKeyNIPKZYLJABYHNO-UHFFFAOYSA-N
MW389.42 g/mol
LogP5.31
Rot. Bonds4

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

N-[6-(2-fluorophenoxy)quinazolin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 11531212) has the molecular formula C20H12FN5OS and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[6-(2-fluorophenoxy)quinazolin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-[6-(2-fluorophenoxy)quinazolin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID11531212
Molecular FormulaC20H12FN5OS
Molecular Weight389.42 g/mol
Exact Mass389.07
IUPAC NameN-[6-(2-fluorophenoxy)quinazolin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESFc1ccccc1Oc1ccc2ncnc(Nc3nc4cccnc4s3)c2c1
InChIInChI=1S/C20H12FN5OS/c21-14-4-1-2-6-17(14)27-12-7-8-15-13(10-12)18(24-11-23-15)26-20-25-16-5-3-9-22-19(16)28-20/h1-11H,(H,23,24,25,26)
InChIKeyNIPKZYLJABYHNO-UHFFFAOYSA-N
XLogP5.31
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.42
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-fluoro-6-(methylsulfonyl)phenoxy)-N-(pyrazin-2-yl)quinazolin-4-amine
CID 11711284
N-(5-chloropyrazin-2-yl)-6-(2-fluoro-6-(methylsulfonyl)phenoxy)quinazolin-4-amine
CID 23160285
6-(2-fluoro-6-(methylsulfonyl)phenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine
CID 23160316
N-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)benzo[d]thiazol-2-amine
CID 24983255
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-(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-(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-(2-fluorophenoxy)quinazolin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-[6-(2-fluorophenoxy)quinazolin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 11531212) is N-[6-(2-fluorophenoxy)quinazolin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N-[6-(2-fluorophenoxy)quinazolin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-[6-(2-fluorophenoxy)quinazolin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine is Fc1ccccc1Oc1ccc2ncnc(Nc3nc4cccnc4s3)c2c1.
What is the InChIKey of N-[6-(2-fluorophenoxy)quinazolin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is NIPKZYLJABYHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN5OS/c21-14-4-1-2-6-17(14)27-12-7-8-15-13(10-12)18(24-11-23-15)26-20-25-16-5-3-9-22-19(16)28-20/h1-11H,(H,23,24,25,26).
What are the key properties of N-[6-(2-fluorophenoxy)quinazolin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-[6-(2-fluorophenoxy)quinazolin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 389.42 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluorophenoxy)quinazolin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 11531212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).