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

C17H12F3N5OS — CID 11596268

IUPACN-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESFCC(CF)Oc1ccc2ncnc(Nc3nc4ccc(F)nc4s3)c2c1
InChIInChI=1S/C17H12F3N5OS/c18-6-10(7-19)26-9-1-2-12-11(5-9)15(22-8-21-12)25-17-23-13-3-4-14(20)24-16(13)27-17/h1-5,8,10H,6-7H2,(H,21,22,23,25)
InChIKeySFVCXNUNYFXFEG-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.20
Rot. Bonds6

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

N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 11596268) has the molecular formula C17H12F3N5OS and a molecular weight of 391.38 g/mol. Its IUPAC name is N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID11596268
Molecular FormulaC17H12F3N5OS
Molecular Weight391.38 g/mol
Exact Mass391.07
IUPAC NameN-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESFCC(CF)Oc1ccc2ncnc(Nc3nc4ccc(F)nc4s3)c2c1
InChIInChI=1S/C17H12F3N5OS/c18-6-10(7-19)26-9-1-2-12-11(5-9)15(22-8-21-12)25-17-23-13-3-4-14(20)24-16(13)27-17/h1-5,8,10H,6-7H2,(H,21,22,23,25)
InChIKeySFVCXNUNYFXFEG-UHFFFAOYSA-N
XLogP4.20
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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
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
N-(6-(2-fluorophenoxy)quinazolin-4-yl)-4-methylthiazol-2-amine
CID 45483614
N-(6-(4-fluorophenoxy)quinazolin-4-yl)-4-methylthiazol-2-amine
CID 45483615
N-(4-methoxyphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 71460338

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 11596268) is N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-fluoro-[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-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine is FCC(CF)Oc1ccc2ncnc(Nc3nc4ccc(F)nc4s3)c2c1.
What is the InChIKey of N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is SFVCXNUNYFXFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5OS/c18-6-10(7-19)26-9-1-2-12-11(5-9)15(22-8-21-12)25-17-23-13-3-4-14(20)24-16(13)27-17/h1-5,8,10H,6-7H2,(H,21,22,23,25).
What are the key properties of N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 391.38 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,3-difluoropropan-2-yloxy)quinazolin-4-yl]-5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 11596268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).