1-N-(2,5-difluoro-4-methylphenyl)-1-N'-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethene-1,1-diamine

C16H14F2N4S — CID 153362567

IUPAC1-N-(2,5-difluoro-4-methylphenyl)-1-N'-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethene-1,1-diamine
SMILESC=C(Nc1nc2ccc(C)nc2s1)Nc1cc(F)c(C)cc1F
InChIInChI=1S/C16H14F2N4S/c1-8-6-12(18)14(7-11(8)17)20-10(3)21-16-22-13-5-4-9(2)19-15(13)23-16/h4-7,20H,3H2,1-2H3,(H,21,22)
InChIKeySNYYELCNLUOLAB-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.58
Rot. Bonds4

About 1-N-(2,5-difluoro-4-methylphenyl)-1-N'-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethene-1,1-diamine

1-N-(2,5-difluoro-4-methylphenyl)-1-N'-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethene-1,1-diamine (PubChem CID 153362567) has the molecular formula C16H14F2N4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-N-(2,5-difluoro-4-methylphenyl)-1-N'-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-(2,5-difluoro-4-methylphenyl)-1-N'-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethene-1,1-diamine
PubChem CID153362567
Molecular FormulaC16H14F2N4S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC Name1-N-(2,5-difluoro-4-methylphenyl)-1-N'-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethene-1,1-diamine
SMILESC=C(Nc1nc2ccc(C)nc2s1)Nc1cc(F)c(C)cc1F
InChIInChI=1S/C16H14F2N4S/c1-8-6-12(18)14(7-11(8)17)20-10(3)21-16-22-13-5-4-9(2)19-15(13)23-16/h4-7,20H,3H2,1-2H3,(H,21,22)
InChIKeySNYYELCNLUOLAB-UHFFFAOYSA-N
XLogP4.58
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 103586604
1-N-(3-fluoro-5-methylphenyl)-1-N'-(6-methyl-1,3-benzothiazol-2-yl)ethene-1,1-diamine
CID 153362548
N-[5-(4-chloro-2-fluoroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-methylbut-3-enamide
CID 11639442
5-bromo-N-(2,5-difluoro-4-methylphenyl)-1,3-benzothiazol-2-amine
CID 103586612
N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 141404422
[4-chloro-2-fluoro-5-[[2-(propanoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]carbamic acid
CID 87446414
5-[(2,5-difluoro-4-methylphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 103587004
tert-butyl N-[5-[(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]-2,4-difluorophenyl]carbamate
CID 91433615
5-benzyl-1-methyl-N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazole-4-carboxamide
CID 167854994
7-fluoro-2,6-dimethylquinoline
CID 143814242
1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
CID 167984606
1-[2-[4-fluoro-2-[2-(trifluoromethyl)oxetan-2-yl]phenoxy]-6-methyl-3-pyridinyl]-3-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
CID 166058961

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,5-difluoro-4-methylphenyl)-1-N'-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethene-1,1-diamine?
The IUPAC name of 1-N-(2,5-difluoro-4-methylphenyl)-1-N'-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethene-1,1-diamine (CID 153362567) is 1-N-(2,5-difluoro-4-methylphenyl)-1-N'-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethene-1,1-diamine.
What is the SMILES notation for 1-N-(2,5-difluoro-4-methylphenyl)-1-N'-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethene-1,1-diamine?
The canonical SMILES for 1-N-(2,5-difluoro-4-methylphenyl)-1-N'-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethene-1,1-diamine is C=C(Nc1nc2ccc(C)nc2s1)Nc1cc(F)c(C)cc1F.
What is the InChIKey of 1-N-(2,5-difluoro-4-methylphenyl)-1-N'-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethene-1,1-diamine?
The InChIKey is SNYYELCNLUOLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4S/c1-8-6-12(18)14(7-11(8)17)20-10(3)21-16-22-13-5-4-9(2)19-15(13)23-16/h4-7,20H,3H2,1-2H3,(H,21,22).
What are the key properties of 1-N-(2,5-difluoro-4-methylphenyl)-1-N'-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethene-1,1-diamine?
1-N-(2,5-difluoro-4-methylphenyl)-1-N'-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethene-1,1-diamine has a molecular weight of 332.38 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,5-difluoro-4-methylphenyl)-1-N'-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)ethene-1,1-diamine is sourced from PubChem (CID 153362567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).