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

C16H13ClN6S — CID 108772258

IUPACN-(6-chloro-2-ethylpyrimidin-4-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCCc1nc(Cl)cc(Nc2nc3scc(-c4ccccc4)n3n2)n1
InChIInChI=1S/C16H13ClN6S/c1-2-13-18-12(17)8-14(19-13)20-15-21-16-23(22-15)11(9-24-16)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,18,19,20,22)
InChIKeyULLYBAIRBADTGW-UHFFFAOYSA-N
MW356.84 g/mol
LogP4.21
Rot. Bonds4

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

N-(6-chloro-2-ethylpyrimidin-4-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (PubChem CID 108772258) has the molecular formula C16H13ClN6S and a molecular weight of 356.84 g/mol. Its IUPAC name is N-(6-chloro-2-ethylpyrimidin-4-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.

Molecular Properties

Compound NameN-(6-chloro-2-ethylpyrimidin-4-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
PubChem CID108772258
Molecular FormulaC16H13ClN6S
Molecular Weight356.84 g/mol
Exact Mass356.06
IUPAC NameN-(6-chloro-2-ethylpyrimidin-4-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCCc1nc(Cl)cc(Nc2nc3scc(-c4ccccc4)n3n2)n1
InChIInChI=1S/C16H13ClN6S/c1-2-13-18-12(17)8-14(19-13)20-15-21-16-23(22-15)11(9-24-16)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,18,19,20,22)
InChIKeyULLYBAIRBADTGW-UHFFFAOYSA-N
XLogP4.21
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(6-chloro-2-ethylpyrimidin-4-yl)-5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772209
N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772231
N-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 116829136
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide
CID 108780564
N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772214
3-chloro-2,2-dimethyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
CID 108751761
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butane-1-sulfonamide
CID 108780563
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
CID 108811515
5-chloro-2-methoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide
CID 108780573
2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
CID 108727855
N-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-1,3-thiazol-2-amine
CID 108778532

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-ethylpyrimidin-4-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The IUPAC name of N-(6-chloro-2-ethylpyrimidin-4-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (CID 108772258) is N-(6-chloro-2-ethylpyrimidin-4-yl)-6-phenyl-[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)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The canonical SMILES for N-(6-chloro-2-ethylpyrimidin-4-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is CCc1nc(Cl)cc(Nc2nc3scc(-c4ccccc4)n3n2)n1.
What is the InChIKey of N-(6-chloro-2-ethylpyrimidin-4-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The InChIKey is ULLYBAIRBADTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN6S/c1-2-13-18-12(17)8-14(19-13)20-15-21-16-23(22-15)11(9-24-16)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,18,19,20,22).
What are the key properties of N-(6-chloro-2-ethylpyrimidin-4-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
N-(6-chloro-2-ethylpyrimidin-4-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine has a molecular weight of 356.84 g/mol, XLogP of 4.21, 4 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)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is sourced from PubChem (CID 108772258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).