7-(4-chloro-2-fluorophenyl)-N,N-dimethyl-5-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

C17H17ClFN5OS — CID 168887981

IUPAC7-(4-chloro-2-fluorophenyl)-N,N-dimethyl-5-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESCN(C)c1nc2nc(N3CCOCC3)nc(-c3ccc(Cl)cc3F)c2s1
InChIInChI=1S/C17H17ClFN5OS/c1-23(2)17-22-15-14(26-17)13(11-4-3-10(18)9-12(11)19)20-16(21-15)24-5-7-25-8-6-24/h3-4,9H,5-8H2,1-2H3
InChIKeyXLGHYYXZGDXDIL-UHFFFAOYSA-N
MW393.88 g/mol
LogP3.45
Rot. Bonds3

About 7-(4-chloro-2-fluorophenyl)-N,N-dimethyl-5-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

7-(4-chloro-2-fluorophenyl)-N,N-dimethyl-5-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (PubChem CID 168887981) has the molecular formula C17H17ClFN5OS and a molecular weight of 393.88 g/mol. Its IUPAC name is 7-(4-chloro-2-fluorophenyl)-N,N-dimethyl-5-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(4-chloro-2-fluorophenyl)-N,N-dimethyl-5-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
PubChem CID168887981
Molecular FormulaC17H17ClFN5OS
Molecular Weight393.88 g/mol
Exact Mass393.08
IUPAC Name7-(4-chloro-2-fluorophenyl)-N,N-dimethyl-5-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESCN(C)c1nc2nc(N3CCOCC3)nc(-c3ccc(Cl)cc3F)c2s1
InChIInChI=1S/C17H17ClFN5OS/c1-23(2)17-22-15-14(26-17)13(11-4-3-10(18)9-12(11)19)20-16(21-15)24-5-7-25-8-6-24/h3-4,9H,5-8H2,1-2H3
InChIKeyXLGHYYXZGDXDIL-UHFFFAOYSA-N
XLogP3.45
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]morpholine;(Z)-3-cyclopropyliminoprop-1-en-1-amine
CID 157044637
7-(4-chloro-2-fluorophenyl)-N-(cyclopropylmethyl)-5-[(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-N-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
CID 168887706
5-[4,4-difluoro-3-(2-methyl-4-pyridinyl)piperidin-1-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
CID 168887971
4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane
CID 166122258
5-[(2R,6R)-2-(1-amino-3-cyclopropyliminoprop-1-en-2-yl)-6-methylmorpholin-4-yl]-7-(4-chloro-2-fluorophenyl)-N-(cyclopropylmethyl)-N-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
CID 174076176
4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine
CID 157044679
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine
CID 166122956
(2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-[(3S)-oxolan-3-yl]morpholine
CID 157045623
4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine
CID 175076903
7-(2,4-difluorophenyl)-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine;1-methylpyridin-2-one;oxane
CID 177137977
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(2-methylpyrimidin-5-yl)morpholine
CID 157045322
4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine
CID 157044800

Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-2-fluorophenyl)-N,N-dimethyl-5-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The IUPAC name of 7-(4-chloro-2-fluorophenyl)-N,N-dimethyl-5-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (CID 168887981) is 7-(4-chloro-2-fluorophenyl)-N,N-dimethyl-5-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(4-chloro-2-fluorophenyl)-N,N-dimethyl-5-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The canonical SMILES for 7-(4-chloro-2-fluorophenyl)-N,N-dimethyl-5-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is CN(C)c1nc2nc(N3CCOCC3)nc(-c3ccc(Cl)cc3F)c2s1.
What is the InChIKey of 7-(4-chloro-2-fluorophenyl)-N,N-dimethyl-5-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The InChIKey is XLGHYYXZGDXDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN5OS/c1-23(2)17-22-15-14(26-17)13(11-4-3-10(18)9-12(11)19)20-16(21-15)24-5-7-25-8-6-24/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 7-(4-chloro-2-fluorophenyl)-N,N-dimethyl-5-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
7-(4-chloro-2-fluorophenyl)-N,N-dimethyl-5-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine has a molecular weight of 393.88 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-2-fluorophenyl)-N,N-dimethyl-5-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is sourced from PubChem (CID 168887981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).