2-methyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine

C17H13F3N4S — CID 11428427

IUPAC2-methyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
SMILESCc1nc2c(s1)-c1nc(Nc3ccc(C(F)(F)F)cc3)ncc1CC2
InChIInChI=1S/C17H13F3N4S/c1-9-22-13-7-2-10-8-21-16(24-14(10)15(13)25-9)23-12-5-3-11(4-6-12)17(18,19)20/h3-6,8H,2,7H2,1H3,(H,21,23,24)
InChIKeyBFOWMTATJFCJBB-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.77
Rot. Bonds2

About 2-methyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine

2-methyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine (PubChem CID 11428427) has the molecular formula C17H13F3N4S and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-methyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine.

Molecular Properties

Compound Name2-methyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
PubChem CID11428427
Molecular FormulaC17H13F3N4S
Molecular Weight362.38 g/mol
Exact Mass362.08
IUPAC Name2-methyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
SMILESCc1nc2c(s1)-c1nc(Nc3ccc(C(F)(F)F)cc3)ncc1CC2
InChIInChI=1S/C17H13F3N4S/c1-9-22-13-7-2-10-8-21-16(24-14(10)15(13)25-9)23-12-5-3-11(4-6-12)17(18,19)20/h3-6,8H,2,7H2,1H3,(H,21,23,24)
InChIKeyBFOWMTATJFCJBB-UHFFFAOYSA-N
XLogP4.77
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
The IUPAC name of 2-methyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine (CID 11428427) is 2-methyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine.
What is the SMILES notation for 2-methyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
The canonical SMILES for 2-methyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine is Cc1nc2c(s1)-c1nc(Nc3ccc(C(F)(F)F)cc3)ncc1CC2.
What is the InChIKey of 2-methyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
The InChIKey is BFOWMTATJFCJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4S/c1-9-22-13-7-2-10-8-21-16(24-14(10)15(13)25-9)23-12-5-3-11(4-6-12)17(18,19)20/h3-6,8H,2,7H2,1H3,(H,21,23,24).
What are the key properties of 2-methyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
2-methyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine has a molecular weight of 362.38 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine is sourced from PubChem (CID 11428427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).