1-phenyl-6-[4-(trifluoromethyl)phenyl]-2,7-dihydro-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine

C18H16F3N5S — CID 91053900

IUPAC1-phenyl-6-[4-(trifluoromethyl)phenyl]-2,7-dihydro-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESNC1C2=C(N=CN1c1ccc(C(F)(F)F)cc1)SC(N)N2c1ccccc1
InChIInChI=1S/C18H16F3N5S/c19-18(20,21)11-6-8-12(9-7-11)25-10-24-16-14(15(25)22)26(17(23)27-16)13-4-2-1-3-5-13/h1-10,15,17H,22-23H2
InChIKeyPFPQCQRXNPQQBW-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.50
Rot. Bonds2

About 1-phenyl-6-[4-(trifluoromethyl)phenyl]-2,7-dihydro-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine

1-phenyl-6-[4-(trifluoromethyl)phenyl]-2,7-dihydro-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (PubChem CID 91053900) has the molecular formula C18H16F3N5S and a molecular weight of 391.42 g/mol. Its IUPAC name is 1-phenyl-6-[4-(trifluoromethyl)phenyl]-2,7-dihydro-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name1-phenyl-6-[4-(trifluoromethyl)phenyl]-2,7-dihydro-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
PubChem CID91053900
Molecular FormulaC18H16F3N5S
Molecular Weight391.42 g/mol
Exact Mass391.11
IUPAC Name1-phenyl-6-[4-(trifluoromethyl)phenyl]-2,7-dihydro-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESNC1C2=C(N=CN1c1ccc(C(F)(F)F)cc1)SC(N)N2c1ccccc1
InChIInChI=1S/C18H16F3N5S/c19-18(20,21)11-6-8-12(9-7-11)25-10-24-16-14(15(25)22)26(17(23)27-16)13-4-2-1-3-5-13/h1-10,15,17H,22-23H2
InChIKeyPFPQCQRXNPQQBW-UHFFFAOYSA-N
XLogP3.50
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-[4-(trifluoromethyl)phenyl]-2,7-dihydro-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The IUPAC name of 1-phenyl-6-[4-(trifluoromethyl)phenyl]-2,7-dihydro-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (CID 91053900) is 1-phenyl-6-[4-(trifluoromethyl)phenyl]-2,7-dihydro-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 1-phenyl-6-[4-(trifluoromethyl)phenyl]-2,7-dihydro-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The canonical SMILES for 1-phenyl-6-[4-(trifluoromethyl)phenyl]-2,7-dihydro-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is NC1C2=C(N=CN1c1ccc(C(F)(F)F)cc1)SC(N)N2c1ccccc1.
What is the InChIKey of 1-phenyl-6-[4-(trifluoromethyl)phenyl]-2,7-dihydro-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The InChIKey is PFPQCQRXNPQQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5S/c19-18(20,21)11-6-8-12(9-7-11)25-10-24-16-14(15(25)22)26(17(23)27-16)13-4-2-1-3-5-13/h1-10,15,17H,22-23H2.
What are the key properties of 1-phenyl-6-[4-(trifluoromethyl)phenyl]-2,7-dihydro-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
1-phenyl-6-[4-(trifluoromethyl)phenyl]-2,7-dihydro-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine has a molecular weight of 391.42 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-6-[4-(trifluoromethyl)phenyl]-2,7-dihydro-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 91053900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).