7-N-[2-(4-fluorophenyl)-2-methoxyethyl]-7-N,2-dimethyl-[1,3]thiazolo[5,4-b]pyridine-6,7-diamine

C17H19FN4OS — CID 138630101

IUPAC7-N-[2-(4-fluorophenyl)-2-methoxyethyl]-7-N,2-dimethyl-[1,3]thiazolo[5,4-b]pyridine-6,7-diamine
SMILESCOC(CN(C)c1c(N)cnc2sc(C)nc12)c1ccc(F)cc1
InChIInChI=1S/C17H19FN4OS/c1-10-21-15-16(13(19)8-20-17(15)24-10)22(2)9-14(23-3)11-4-6-12(18)7-5-11/h4-8,14H,9,19H2,1-3H3
InChIKeyMVCWCRQGCAKXOO-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.54
Rot. Bonds5

About 7-N-[2-(4-fluorophenyl)-2-methoxyethyl]-7-N,2-dimethyl-[1,3]thiazolo[5,4-b]pyridine-6,7-diamine

7-N-[2-(4-fluorophenyl)-2-methoxyethyl]-7-N,2-dimethyl-[1,3]thiazolo[5,4-b]pyridine-6,7-diamine (PubChem CID 138630101) has the molecular formula C17H19FN4OS and a molecular weight of 346.43 g/mol. Its IUPAC name is 7-N-[2-(4-fluorophenyl)-2-methoxyethyl]-7-N,2-dimethyl-[1,3]thiazolo[5,4-b]pyridine-6,7-diamine.

Molecular Properties

Compound Name7-N-[2-(4-fluorophenyl)-2-methoxyethyl]-7-N,2-dimethyl-[1,3]thiazolo[5,4-b]pyridine-6,7-diamine
PubChem CID138630101
Molecular FormulaC17H19FN4OS
Molecular Weight346.43 g/mol
Exact Mass346.13
IUPAC Name7-N-[2-(4-fluorophenyl)-2-methoxyethyl]-7-N,2-dimethyl-[1,3]thiazolo[5,4-b]pyridine-6,7-diamine
SMILESCOC(CN(C)c1c(N)cnc2sc(C)nc12)c1ccc(F)cc1
InChIInChI=1S/C17H19FN4OS/c1-10-21-15-16(13(19)8-20-17(15)24-10)22(2)9-14(23-3)11-4-6-12(18)7-5-11/h4-8,14H,9,19H2,1-3H3
InChIKeyMVCWCRQGCAKXOO-UHFFFAOYSA-N
XLogP3.54
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-N-[2-(4-fluorophenyl)-2-methoxyethyl]-7-N,2-dimethyl-[1,3]thiazolo[5,4-b]pyridine-6,7-diamine with MolForge

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Related Compounds

US20230312601, Example 18
CID 169218506
US20230312601, Example 37
CID 169218521
US20230312601, Example 33
CID 169218557
US20230312601, Example 19
CID 169218583
US20230312601, Example 35
CID 169218626
US20230312601, Example 29
CID 169218648
N-[(3S,4S)-1-benzyl-3-phenylmethoxypiperidin-4-yl]-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine
CID 90453221
2-(Phenylmethoxymethyl)-6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridine
CID 118069602
2-(Phenylmethoxymethyl)-6-[5-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]-[1,3]thiazolo[5,4-b]pyridine
CID 118069605
6-(1,1,2,2,2-Pentafluoroethyl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine
CID 118069615
2-(Phenylmethoxymethyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 118069618
N-(1-benzyl-3-phenylmethoxypiperidin-4-yl)-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-amine
CID 123719021

Frequently Asked Questions

What is the IUPAC name of 7-N-[2-(4-fluorophenyl)-2-methoxyethyl]-7-N,2-dimethyl-[1,3]thiazolo[5,4-b]pyridine-6,7-diamine?
The IUPAC name of 7-N-[2-(4-fluorophenyl)-2-methoxyethyl]-7-N,2-dimethyl-[1,3]thiazolo[5,4-b]pyridine-6,7-diamine (CID 138630101) is 7-N-[2-(4-fluorophenyl)-2-methoxyethyl]-7-N,2-dimethyl-[1,3]thiazolo[5,4-b]pyridine-6,7-diamine.
What is the SMILES notation for 7-N-[2-(4-fluorophenyl)-2-methoxyethyl]-7-N,2-dimethyl-[1,3]thiazolo[5,4-b]pyridine-6,7-diamine?
The canonical SMILES for 7-N-[2-(4-fluorophenyl)-2-methoxyethyl]-7-N,2-dimethyl-[1,3]thiazolo[5,4-b]pyridine-6,7-diamine is COC(CN(C)c1c(N)cnc2sc(C)nc12)c1ccc(F)cc1.
What is the InChIKey of 7-N-[2-(4-fluorophenyl)-2-methoxyethyl]-7-N,2-dimethyl-[1,3]thiazolo[5,4-b]pyridine-6,7-diamine?
The InChIKey is MVCWCRQGCAKXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4OS/c1-10-21-15-16(13(19)8-20-17(15)24-10)22(2)9-14(23-3)11-4-6-12(18)7-5-11/h4-8,14H,9,19H2,1-3H3.
What are the key properties of 7-N-[2-(4-fluorophenyl)-2-methoxyethyl]-7-N,2-dimethyl-[1,3]thiazolo[5,4-b]pyridine-6,7-diamine?
7-N-[2-(4-fluorophenyl)-2-methoxyethyl]-7-N,2-dimethyl-[1,3]thiazolo[5,4-b]pyridine-6,7-diamine has a molecular weight of 346.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[2-(4-fluorophenyl)-2-methoxyethyl]-7-N,2-dimethyl-[1,3]thiazolo[5,4-b]pyridine-6,7-diamine is sourced from PubChem (CID 138630101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).