2-[7-fluoro-4-[(6-methylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile

C18H11FN6S — CID 150436397

IUPAC2-[7-fluoro-4-[(6-methylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile
SMILESCc1cc(Nc2ncc(F)c3nc(-c4ccccc4C#N)sc23)ncn1
InChIInChI=1S/C18H11FN6S/c1-10-6-14(23-9-22-10)24-17-16-15(13(19)8-21-17)25-18(26-16)12-5-3-2-4-11(12)7-20/h2-6,8-9H,1H3,(H,21,22,23,24)
InChIKeyHKVWSTSDLWTCFM-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.21
Rot. Bonds3

About 2-[7-fluoro-4-[(6-methylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile

2-[7-fluoro-4-[(6-methylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile (PubChem CID 150436397) has the molecular formula C18H11FN6S and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[7-fluoro-4-[(6-methylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[7-fluoro-4-[(6-methylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile
PubChem CID150436397
Molecular FormulaC18H11FN6S
Molecular Weight362.39 g/mol
Exact Mass362.07
IUPAC Name2-[7-fluoro-4-[(6-methylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile
SMILESCc1cc(Nc2ncc(F)c3nc(-c4ccccc4C#N)sc23)ncn1
InChIInChI=1S/C18H11FN6S/c1-10-6-14(23-9-22-10)24-17-16-15(13(19)8-21-17)25-18(26-16)12-5-3-2-4-11(12)7-20/h2-6,8-9H,1H3,(H,21,22,23,24)
InChIKeyHKVWSTSDLWTCFM-UHFFFAOYSA-N
XLogP4.21
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(2-aminoethyl)-7-fluoro-4-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridine-2,4-diamine
CID 123936101
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
1-methyl-5-[(6-methylpyrimidin-4-yl)amino]pyrazole-4-carbonitrile
CID 108775308
2-[[6-[(2-methylpyrimidin-4-yl)amino]pyrimidin-4-yl]amino]benzonitrile
CID 172624343
2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-phenylpyridine-3-carbonitrile
CID 164912151
N-(6-methylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 108777905
2-[[6-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112865526
2-(4-amino-3,5-difluorophenyl)benzonitrile
CID 146569239
2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112932302
3,5-dichloro-4-[4-[(6-chloropyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile
CID 86668995
4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzamide;2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzonitrile
CID 67324103
2-(2,6-dichlorophenyl)-N-(6-methylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 67383612

Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-4-[(6-methylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile?
The IUPAC name of 2-[7-fluoro-4-[(6-methylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile (CID 150436397) is 2-[7-fluoro-4-[(6-methylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile.
What is the SMILES notation for 2-[7-fluoro-4-[(6-methylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile?
The canonical SMILES for 2-[7-fluoro-4-[(6-methylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile is Cc1cc(Nc2ncc(F)c3nc(-c4ccccc4C#N)sc23)ncn1.
What is the InChIKey of 2-[7-fluoro-4-[(6-methylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile?
The InChIKey is HKVWSTSDLWTCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN6S/c1-10-6-14(23-9-22-10)24-17-16-15(13(19)8-21-17)25-18(26-16)12-5-3-2-4-11(12)7-20/h2-6,8-9H,1H3,(H,21,22,23,24).
What are the key properties of 2-[7-fluoro-4-[(6-methylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile?
2-[7-fluoro-4-[(6-methylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile has a molecular weight of 362.39 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-4-[(6-methylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 150436397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).