7-(3,4-difluorophenyl)-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine

C13H10F2N4S — CID 87813552

IUPAC7-(3,4-difluorophenyl)-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
SMILESCNc1cc(-c2ccc(F)c(F)c2)c2nc(N)sc2n1
InChIInChI=1S/C13H10F2N4S/c1-17-10-5-7(6-2-3-8(14)9(15)4-6)11-12(18-10)20-13(16)19-11/h2-5H,1H3,(H2,16,19)(H,17,18)
InChIKeyJGNMZCRYOPQJIF-UHFFFAOYSA-N
MW292.31 g/mol
LogP3.26
Rot. Bonds2

About 7-(3,4-difluorophenyl)-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine

7-(3,4-difluorophenyl)-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine (PubChem CID 87813552) has the molecular formula C13H10F2N4S and a molecular weight of 292.31 g/mol. Its IUPAC name is 7-(3,4-difluorophenyl)-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine.

Molecular Properties

Compound Name7-(3,4-difluorophenyl)-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
PubChem CID87813552
Molecular FormulaC13H10F2N4S
Molecular Weight292.31 g/mol
Exact Mass292.06
IUPAC Name7-(3,4-difluorophenyl)-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
SMILESCNc1cc(-c2ccc(F)c(F)c2)c2nc(N)sc2n1
InChIInChI=1S/C13H10F2N4S/c1-17-10-5-7(6-2-3-8(14)9(15)4-6)11-12(18-10)20-13(16)19-11/h2-5H,1H3,(H2,16,19)(H,17,18)
InChIKeyJGNMZCRYOPQJIF-UHFFFAOYSA-N
XLogP3.26
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(3,4-difluorophenyl)-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine with MolForge

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Related Compounds

3M-002
CID 10198719
5-Phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine
CID 2608755
[4-(4-Fluoro-phenyl)-thiazol-2-yl]-(6-methyl-pyridin-2-yl)-amine
CID 972722
N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-6-methylpyridin-2-amine
CID 2928055
1-Prop-2-enyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
CID 44553176
N2-o-tolyl-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 44569642
4-(1,3-benzothiazol-2-yl)-N-(4,6-dimethyl-2-pyridinyl)piperazine-1-carbothioamide
CID 49852812
2-Phenyl-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine
CID 71256323
2-(4-Fluorophenyl)-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine
CID 73346098
6-[6-(Ethylamino)-3-pyridinyl]-1,3-benzothiazol-2-amine
CID 122184470
5-N-benzyl-2-methyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145960536
2-methyl-5-N-(2-phenylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145960667

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-difluorophenyl)-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
The IUPAC name of 7-(3,4-difluorophenyl)-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine (CID 87813552) is 7-(3,4-difluorophenyl)-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine.
What is the SMILES notation for 7-(3,4-difluorophenyl)-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
The canonical SMILES for 7-(3,4-difluorophenyl)-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine is CNc1cc(-c2ccc(F)c(F)c2)c2nc(N)sc2n1.
What is the InChIKey of 7-(3,4-difluorophenyl)-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
The InChIKey is JGNMZCRYOPQJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4S/c1-17-10-5-7(6-2-3-8(14)9(15)4-6)11-12(18-10)20-13(16)19-11/h2-5H,1H3,(H2,16,19)(H,17,18).
What are the key properties of 7-(3,4-difluorophenyl)-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
7-(3,4-difluorophenyl)-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine has a molecular weight of 292.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-difluorophenyl)-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine is sourced from PubChem (CID 87813552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).