6-(3-chloro-4-fluorophenyl)-3-[2-(dimethylamino)ethyl]-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine

C15H20ClFN6S — CID 91117393

IUPAC6-(3-chloro-4-fluorophenyl)-3-[2-(dimethylamino)ethyl]-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
SMILESCN(C)CCN1C2=C(SC1N)C(N)N(c1ccc(F)c(Cl)c1)C=N2
InChIInChI=1S/C15H20ClFN6S/c1-21(2)5-6-22-14-12(24-15(22)19)13(18)23(8-20-14)9-3-4-11(17)10(16)7-9/h3-4,7-8,13,15H,5-6,18-19H2,1-2H3
InChIKeyCLBGMANRMWHSLN-UHFFFAOYSA-N
MW370.89 g/mol
LogP1.63
Rot. Bonds4

About 6-(3-chloro-4-fluorophenyl)-3-[2-(dimethylamino)ethyl]-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine

6-(3-chloro-4-fluorophenyl)-3-[2-(dimethylamino)ethyl]-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine (PubChem CID 91117393) has the molecular formula C15H20ClFN6S and a molecular weight of 370.89 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)-3-[2-(dimethylamino)ethyl]-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)-3-[2-(dimethylamino)ethyl]-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
PubChem CID91117393
Molecular FormulaC15H20ClFN6S
Molecular Weight370.89 g/mol
Exact Mass370.11
IUPAC Name6-(3-chloro-4-fluorophenyl)-3-[2-(dimethylamino)ethyl]-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
SMILESCN(C)CCN1C2=C(SC1N)C(N)N(c1ccc(F)c(Cl)c1)C=N2
InChIInChI=1S/C15H20ClFN6S/c1-21(2)5-6-22-14-12(24-15(22)19)13(18)23(8-20-14)9-3-4-11(17)10(16)7-9/h3-4,7-8,13,15H,5-6,18-19H2,1-2H3
InChIKeyCLBGMANRMWHSLN-UHFFFAOYSA-N
XLogP1.63
TPSA74.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.89
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)-3-[2-(dimethylamino)ethyl]-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)-3-[2-(dimethylamino)ethyl]-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine (CID 91117393) is 6-(3-chloro-4-fluorophenyl)-3-[2-(dimethylamino)ethyl]-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)-3-[2-(dimethylamino)ethyl]-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)-3-[2-(dimethylamino)ethyl]-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine is CN(C)CCN1C2=C(SC1N)C(N)N(c1ccc(F)c(Cl)c1)C=N2.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)-3-[2-(dimethylamino)ethyl]-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The InChIKey is CLBGMANRMWHSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN6S/c1-21(2)5-6-22-14-12(24-15(22)19)13(18)23(8-20-14)9-3-4-11(17)10(16)7-9/h3-4,7-8,13,15H,5-6,18-19H2,1-2H3.
What are the key properties of 6-(3-chloro-4-fluorophenyl)-3-[2-(dimethylamino)ethyl]-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
6-(3-chloro-4-fluorophenyl)-3-[2-(dimethylamino)ethyl]-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine has a molecular weight of 370.89 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)-3-[2-(dimethylamino)ethyl]-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 91117393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).