(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C10H11F3N4S2 — CID 106785683

IUPAC(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)c1nnsc1C(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H11F3N4S2/c1-4(2)7-8(19-17-16-7)6(14)5-3-15-9(18-5)10(11,12)13/h3-4,6H,14H2,1-2H3
InChIKeyFENSTOGBXYRYLT-UHFFFAOYSA-N
MW308.35 g/mol
LogP3.18
Rot. Bonds3

About (4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106785683) has the molecular formula C10H11F3N4S2 and a molecular weight of 308.35 g/mol. Its IUPAC name is (4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106785683
Molecular FormulaC10H11F3N4S2
Molecular Weight308.35 g/mol
Exact Mass308.04
IUPAC Name(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)c1nnsc1C(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H11F3N4S2/c1-4(2)7-8(19-17-16-7)6(14)5-3-15-9(18-5)10(11,12)13/h3-4,6H,14H2,1-2H3
InChIKeyFENSTOGBXYRYLT-UHFFFAOYSA-N
XLogP3.18
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106786474
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethylhydrazine
CID 106786712
(4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783141
(4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 105141412
2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783287
(5-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785774
4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-yn-2-amine
CID 106783833
(4-methyl-3-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783767
2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783411
3,5,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-1-amine
CID 106786341
(3-methoxy-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785356
2-(azepan-1-yl)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783418

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of (4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106785683) is (4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for (4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for (4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CC(C)c1nnsc1C(N)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is FENSTOGBXYRYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4S2/c1-4(2)7-8(19-17-16-7)6(14)5-3-15-9(18-5)10(11,12)13/h3-4,6H,14H2,1-2H3.
What are the key properties of (4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 308.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106785683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).