2-N-(2-aminoethyl)-7-fluoro-4-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridine-2,4-diamine

C13H14FN7S — CID 123936101

IUPAC2-N-(2-aminoethyl)-7-fluoro-4-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridine-2,4-diamine
SMILESCc1cc(Nc2ncc(F)c3nc(NCCN)sc23)ncn1
InChIInChI=1S/C13H14FN7S/c1-7-4-9(19-6-18-7)20-12-11-10(8(14)5-17-12)21-13(22-11)16-3-2-15/h4-6H,2-3,15H2,1H3,(H,16,21)(H,17,18,19,20)
InChIKeyCSNZRUFXOZXWMZ-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.04
Rot. Bonds5

About 2-N-(2-aminoethyl)-7-fluoro-4-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridine-2,4-diamine

2-N-(2-aminoethyl)-7-fluoro-4-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridine-2,4-diamine (PubChem CID 123936101) has the molecular formula C13H14FN7S and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-7-fluoro-4-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-7-fluoro-4-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridine-2,4-diamine
PubChem CID123936101
Molecular FormulaC13H14FN7S
Molecular Weight319.37 g/mol
Exact Mass319.10
IUPAC Name2-N-(2-aminoethyl)-7-fluoro-4-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridine-2,4-diamine
SMILESCc1cc(Nc2ncc(F)c3nc(NCCN)sc23)ncn1
InChIInChI=1S/C13H14FN7S/c1-7-4-9(19-6-18-7)20-12-11-10(8(14)5-17-12)21-13(22-11)16-3-2-15/h4-6H,2-3,15H2,1H3,(H,16,21)(H,17,18,19,20)
InChIKeyCSNZRUFXOZXWMZ-UHFFFAOYSA-N
XLogP2.04
TPSA101.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-N-(2-aminoethyl)-7-fluoro-4-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridine-2,4-diamine with MolForge

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Related Compounds

2-[7-fluoro-4-[(6-methylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile
CID 150436397
N'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 82191548
4-N-[7-fluoro-2-(spiro[2.5]octan-6-ylideneamino)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
CID 144865575
4-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine;4-N-[7-fluoro-2-[(3S)-3-methylpiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
CID 160994213
4-[4-[(6-aminopyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]morpholine-2-carbonitrile
CID 123263940
N-(2-bromoethyl)-6-methylpyrimidin-4-amine
CID 126848039
N'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82479380
N-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 62502673
N-[(3,4-difluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 54966097
1-[4-[(6-amino-2-methylpyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carboxamide
CID 118173941
2-[(6-methylpyrimidin-4-yl)amino]ethylurea
CID 79033984
N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82473894

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)-7-fluoro-4-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridine-2,4-diamine?
The IUPAC name of 2-N-(2-aminoethyl)-7-fluoro-4-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridine-2,4-diamine (CID 123936101) is 2-N-(2-aminoethyl)-7-fluoro-4-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridine-2,4-diamine.
What is the SMILES notation for 2-N-(2-aminoethyl)-7-fluoro-4-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridine-2,4-diamine?
The canonical SMILES for 2-N-(2-aminoethyl)-7-fluoro-4-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridine-2,4-diamine is Cc1cc(Nc2ncc(F)c3nc(NCCN)sc23)ncn1.
What is the InChIKey of 2-N-(2-aminoethyl)-7-fluoro-4-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridine-2,4-diamine?
The InChIKey is CSNZRUFXOZXWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN7S/c1-7-4-9(19-6-18-7)20-12-11-10(8(14)5-17-12)21-13(22-11)16-3-2-15/h4-6H,2-3,15H2,1H3,(H,16,21)(H,17,18,19,20).
What are the key properties of 2-N-(2-aminoethyl)-7-fluoro-4-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridine-2,4-diamine?
2-N-(2-aminoethyl)-7-fluoro-4-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridine-2,4-diamine has a molecular weight of 319.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)-7-fluoro-4-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridine-2,4-diamine is sourced from PubChem (CID 123936101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).