N-[6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]acetamide

C18H12ClFN6OS — CID 56953295

IUPACN-[6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(Nc2nccc3nc(-c4c(F)cccc4Cl)sc23)ncn1
InChIInChI=1S/C18H12ClFN6OS/c1-9(27)24-13-7-14(23-8-22-13)26-17-16-12(5-6-21-17)25-18(28-16)15-10(19)3-2-4-11(15)20/h2-8H,1H3,(H2,21,22,23,24,26,27)
InChIKeyFOHVYNLPIAFDRU-UHFFFAOYSA-N
MW414.85 g/mol
LogP4.64
Rot. Bonds4

About N-[6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]acetamide

N-[6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]acetamide (PubChem CID 56953295) has the molecular formula C18H12ClFN6OS and a molecular weight of 414.85 g/mol. Its IUPAC name is N-[6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]acetamide
PubChem CID56953295
Molecular FormulaC18H12ClFN6OS
Molecular Weight414.85 g/mol
Exact Mass414.05
IUPAC NameN-[6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(Nc2nccc3nc(-c4c(F)cccc4Cl)sc23)ncn1
InChIInChI=1S/C18H12ClFN6OS/c1-9(27)24-13-7-14(23-8-22-13)26-17-16-12(5-6-21-17)25-18(28-16)15-10(19)3-2-4-11(15)20/h2-8H,1H3,(H2,21,22,23,24,26,27)
InChIKeyFOHVYNLPIAFDRU-UHFFFAOYSA-N
XLogP4.64
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Pyridothieno[3,2-d]pyrimidine deriv. 74
CID 5328422
1-(3-Chloro-4-fluorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138116
N-(2-(2,6-Dichlorophenyl)thiazolo[5,4-c]pyridin-4-yl)cyclopropanecarboxamide
CID 56953110
N-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 2823823
4-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylpyrido[1,2]thieno[3,4-d]pyrimidin-9-amine
CID 1069463
5-(6-(2-Chloro-4-fluorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-propylthiazol-2-amine
CID 52941393
N-[2-[acetyl(1,3-benzothiazol-6-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 162746689
N-(3-Chloro-4-fluorophenyl)-7-{(2E)-3-[(2S)-1-methylpyrrolidin-2-yl]prop-2-enoyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
CID 25221099
4-[(6-Aminopyrimidin-4-yl)amino]-2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridine-7-carbonitrile
CID 56952915
(2-(2-(2,6-Dichlorophenyl)thiazolo[5,4-c]pyridin-4-ylamino)pyridin-4-yl)methanol
CID 66802041
N-(3,5-dichlorophenyl)-2-[4-(2-phenylthiazol-4-yl)pyrimidin-2-yl]sulfanyl-acetamide
CID 2744814
N-(2-chlorophenyl)-2-[4-[4-methyl-2-methylsulfanyl-5-(4-methylthiazol-2-yl)-3-thienyl]pyrimidin-2-yl]sulfanyl-acetamide
CID 2820914

Frequently Asked Questions

What is the IUPAC name of N-[6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]acetamide (CID 56953295) is N-[6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(Nc2nccc3nc(-c4c(F)cccc4Cl)sc23)ncn1.
What is the InChIKey of N-[6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]acetamide?
The InChIKey is FOHVYNLPIAFDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN6OS/c1-9(27)24-13-7-14(23-8-22-13)26-17-16-12(5-6-21-17)25-18(28-16)15-10(19)3-2-4-11(15)20/h2-8H,1H3,(H2,21,22,23,24,26,27).
What are the key properties of N-[6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]acetamide?
N-[6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]acetamide has a molecular weight of 414.85 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 56953295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).