N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]cyclopropanecarboxamide

C15H10Cl2N4OS — CID 56953203

IUPACN-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ncnc2nc(-c3c(Cl)cccc3Cl)sc12)C1CC1
InChIInChI=1S/C15H10Cl2N4OS/c16-8-2-1-3-9(17)10(8)15-21-13-11(23-15)12(18-6-19-13)20-14(22)7-4-5-7/h1-3,6-7H,4-5H2,(H,18,19,20,22)
InChIKeyODQGHVXCUOKZEA-UHFFFAOYSA-N
MW365.25 g/mol
LogP4.41
Rot. Bonds3

About N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]cyclopropanecarboxamide

N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]cyclopropanecarboxamide (PubChem CID 56953203) has the molecular formula C15H10Cl2N4OS and a molecular weight of 365.25 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]cyclopropanecarboxamide
PubChem CID56953203
Molecular FormulaC15H10Cl2N4OS
Molecular Weight365.25 g/mol
Exact Mass364.00
IUPAC NameN-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ncnc2nc(-c3c(Cl)cccc3Cl)sc12)C1CC1
InChIInChI=1S/C15H10Cl2N4OS/c16-8-2-1-3-9(17)10(8)15-21-13-11(23-15)12(18-6-19-13)20-14(22)7-4-5-7/h1-3,6-7H,4-5H2,(H,18,19,20,22)
InChIKeyODQGHVXCUOKZEA-UHFFFAOYSA-N
XLogP4.41
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(2,6-Dichlorophenyl)thiazolo[5,4-c]pyridin-4-yl)cyclopropanecarboxamide
CID 56953110
N-(3-chloro-4-methylphenyl)-2-((2-(dimethylamino)thiazolo[4,5-d]pyrimidin-7-yl)thio)acetamide
CID 52999431
cis-(1S,2S)-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 66807279
trans-(1R,2S)-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 68155829
cis-(1R,2R)-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 68155844
trans-(1S,2R)-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 68156545
(2R)-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 68177657
N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 77170576
N-[2-(4-amino-2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide
CID 66801198
N-[2-(2-chlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide
CID 66801274
2-(2,6-dichlorophenyl)-N-pyrimidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 66801311
2-(2,6-Dichlorophenyl)-7-(methylthio)thiazolo[4,5-d]pyrimidine
CID 66801670

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]cyclopropanecarboxamide (CID 56953203) is N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]cyclopropanecarboxamide is O=C(Nc1ncnc2nc(-c3c(Cl)cccc3Cl)sc12)C1CC1.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]cyclopropanecarboxamide?
The InChIKey is ODQGHVXCUOKZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4OS/c16-8-2-1-3-9(17)10(8)15-21-13-11(23-15)12(18-6-19-13)20-14(22)7-4-5-7/h1-3,6-7H,4-5H2,(H,18,19,20,22).
What are the key properties of N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]cyclopropanecarboxamide?
N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]cyclopropanecarboxamide has a molecular weight of 365.25 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 56953203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).