8-(trifluoromethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-amine

C11H6F3N3S — CID 154276626

IUPAC8-(trifluoromethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2c1sc1ccc(C(F)(F)F)cc12
InChIInChI=1S/C11H6F3N3S/c12-11(13,14)5-1-2-7-6(3-5)8-9(18-7)10(15)17-4-16-8/h1-4H,(H2,15,16,17)
InChIKeyUUQNLQTXGHTEAD-UHFFFAOYSA-N
MW269.25 g/mol
LogP3.45
Rot. Bonds

About 8-(trifluoromethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-amine

8-(trifluoromethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-amine (PubChem CID 154276626) has the molecular formula C11H6F3N3S and a molecular weight of 269.25 g/mol. Its IUPAC name is 8-(trifluoromethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name8-(trifluoromethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-amine
PubChem CID154276626
Molecular FormulaC11H6F3N3S
Molecular Weight269.25 g/mol
Exact Mass269.02
IUPAC Name8-(trifluoromethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2c1sc1ccc(C(F)(F)F)cc12
InChIInChI=1S/C11H6F3N3S/c12-11(13,14)5-1-2-7-6(3-5)8-9(18-7)10(15)17-4-16-8/h1-4H,(H2,15,16,17)
InChIKeyUUQNLQTXGHTEAD-UHFFFAOYSA-N
XLogP3.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,8-bis(trifluoromethyl)quinazolin-4-amine
CID 175992502
7-(2-aminophenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-amine
CID 88992379
5-(trifluoromethyl)-1-benzothiophen-2-amine
CID 134691946
7,19-bis(trifluoromethyl)-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 135243468
8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 142710269
8-bromo-4-chloro-[1]benzothiolo[3,2-d]pyrimidine
CID 12695151
6-(trifluoromethyl)-1,3-benzothiazin-4-one
CID 175733175
11-phenyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 13499684
7-(4-ethyliminobut-2-en-2-yl)-[1]benzothiolo[3,2-d]pyrimidin-4-amine
CID 123722456
2-methoxy-8-(trifluoromethyl)dibenzothiophene
CID 46873336
1-[8-(trifluoromethyl)dibenzothiophen-2-yl]ethanone
CID 122641680
5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-benzothiazole-2,4-diamine
CID 22135546

Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 8-(trifluoromethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-amine (CID 154276626) is 8-(trifluoromethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 8-(trifluoromethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 8-(trifluoromethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-amine is Nc1ncnc2c1sc1ccc(C(F)(F)F)cc12.
What is the InChIKey of 8-(trifluoromethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-amine?
The InChIKey is UUQNLQTXGHTEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3S/c12-11(13,14)5-1-2-7-6(3-5)8-9(18-7)10(15)17-4-16-8/h1-4H,(H2,15,16,17).
What are the key properties of 8-(trifluoromethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-amine?
8-(trifluoromethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-amine has a molecular weight of 269.25 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 154276626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).