N-(6-chloro-2-ethylpyrimidin-4-yl)-5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

C12H13ClN6S — CID 108772209

IUPACN-(6-chloro-2-ethylpyrimidin-4-yl)-5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCCc1nc(Cl)cc(Nc2nc3sc(C)c(C)n3n2)n1
InChIInChI=1S/C12H13ClN6S/c1-4-9-14-8(13)5-10(15-9)16-11-17-12-19(18-11)6(2)7(3)20-12/h5H,4H2,1-3H3,(H,14,15,16,18)
InChIKeyBOMFURXUVOAHGN-UHFFFAOYSA-N
MW308.80 g/mol
LogP3.16
Rot. Bonds3

About N-(6-chloro-2-ethylpyrimidin-4-yl)-5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

N-(6-chloro-2-ethylpyrimidin-4-yl)-5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (PubChem CID 108772209) has the molecular formula C12H13ClN6S and a molecular weight of 308.80 g/mol. Its IUPAC name is N-(6-chloro-2-ethylpyrimidin-4-yl)-5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.

Molecular Properties

Compound NameN-(6-chloro-2-ethylpyrimidin-4-yl)-5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
PubChem CID108772209
Molecular FormulaC12H13ClN6S
Molecular Weight308.80 g/mol
Exact Mass308.06
IUPAC NameN-(6-chloro-2-ethylpyrimidin-4-yl)-5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCCc1nc(Cl)cc(Nc2nc3sc(C)c(C)n3n2)n1
InChIInChI=1S/C12H13ClN6S/c1-4-9-14-8(13)5-10(15-9)16-11-17-12-19(18-11)6(2)7(3)20-12/h5H,4H2,1-3H3,(H,14,15,16,18)
InChIKeyBOMFURXUVOAHGN-UHFFFAOYSA-N
XLogP3.16
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.80
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-chloro-2-ethylpyrimidin-4-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772258
N-(6-chloro-2-ethylpyrimidin-4-yl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772307
N-(4,6-dimethylpyrimidin-2-yl)-5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772183
6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine
CID 80944911
3-(4-chlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
CID 108727655
6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine
CID 80936731
6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
CID 114256298
2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine
CID 108778186
N-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-1,3-thiazol-2-amine
CID 108778532
6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 80943528
6-chloro-2-ethyl-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
CID 80936099
N-(6-chloro-2-ethylpyrimidin-4-yl)-4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 108771882

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-ethylpyrimidin-4-yl)-5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The IUPAC name of N-(6-chloro-2-ethylpyrimidin-4-yl)-5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (CID 108772209) is N-(6-chloro-2-ethylpyrimidin-4-yl)-5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.
What is the SMILES notation for N-(6-chloro-2-ethylpyrimidin-4-yl)-5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The canonical SMILES for N-(6-chloro-2-ethylpyrimidin-4-yl)-5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is CCc1nc(Cl)cc(Nc2nc3sc(C)c(C)n3n2)n1.
What is the InChIKey of N-(6-chloro-2-ethylpyrimidin-4-yl)-5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The InChIKey is BOMFURXUVOAHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN6S/c1-4-9-14-8(13)5-10(15-9)16-11-17-12-19(18-11)6(2)7(3)20-12/h5H,4H2,1-3H3,(H,14,15,16,18).
What are the key properties of N-(6-chloro-2-ethylpyrimidin-4-yl)-5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
N-(6-chloro-2-ethylpyrimidin-4-yl)-5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine has a molecular weight of 308.80 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-ethylpyrimidin-4-yl)-5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is sourced from PubChem (CID 108772209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).