7-chloro-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

C12H7Cl3N4S — CID 59646451

IUPAC7-chloro-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESCc1nc(Cl)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
InChIInChI=1S/C12H7Cl3N4S/c1-5-16-10(15)9-11(17-5)20-12(19-9)18-8-6(13)3-2-4-7(8)14/h2-4H,1H3,(H,18,19)
InChIKeyGVPVOJRORRDVBS-UHFFFAOYSA-N
MW345.64 g/mol
LogP5.10
Rot. Bonds2

About 7-chloro-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

7-chloro-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (PubChem CID 59646451) has the molecular formula C12H7Cl3N4S and a molecular weight of 345.64 g/mol. Its IUPAC name is 7-chloro-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-chloro-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
PubChem CID59646451
Molecular FormulaC12H7Cl3N4S
Molecular Weight345.64 g/mol
Exact Mass343.95
IUPAC Name7-chloro-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESCc1nc(Cl)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
InChIInChI=1S/C12H7Cl3N4S/c1-5-16-10(15)9-11(17-5)20-12(19-9)18-8-6(13)3-2-4-7(8)14/h2-4H,1H3,(H,18,19)
InChIKeyGVPVOJRORRDVBS-UHFFFAOYSA-N
XLogP5.10
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.64
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-5-methyl-N-(2-methylsulfanylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 59646499
7-chloro-5-methyl-N-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 59646514
2-N-(2,6-dichlorophenyl)-5-methyl-7-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24883398
2-N-(2,6-dichlorophenyl)-7-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 44569785
7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dimethylphenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 59646409
7-chloro-N-[2-chloro-6-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 59646413
7-chloro-N-(2-chlorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 59646415
4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 79146236
6-chloro-N-(2-chloro-6-methylphenyl)-2,5-dimethylpyrimidin-4-amine
CID 66256721
2-N-(2,6-dichlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24882956
2-N-[2,6-bis(methylsulfonyl)phenyl]-5-methyl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24883351
N-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126055034

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The IUPAC name of 7-chloro-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (CID 59646451) is 7-chloro-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.
What is the SMILES notation for 7-chloro-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The canonical SMILES for 7-chloro-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is Cc1nc(Cl)c2nc(Nc3c(Cl)cccc3Cl)sc2n1.
What is the InChIKey of 7-chloro-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The InChIKey is GVPVOJRORRDVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N4S/c1-5-16-10(15)9-11(17-5)20-12(19-9)18-8-6(13)3-2-4-7(8)14/h2-4H,1H3,(H,18,19).
What are the key properties of 7-chloro-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
7-chloro-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine has a molecular weight of 345.64 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is sourced from PubChem (CID 59646451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).