N-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C11H12F3N3S2 — CID 114448598

IUPACN-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(CC(C)Nc2nnc(C(F)(F)F)s2)s1
InChIInChI=1S/C11H12F3N3S2/c1-6(5-8-4-3-7(2)18-8)15-10-17-16-9(19-10)11(12,13)14/h3-4,6H,5H2,1-2H3,(H,15,17)
InChIKeyBRJVEEHXHLPDHW-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.97
Rot. Bonds4

About N-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448598) has the molecular formula C11H12F3N3S2 and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448598
Molecular FormulaC11H12F3N3S2
Molecular Weight307.37 g/mol
Exact Mass307.04
IUPAC NameN-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(CC(C)Nc2nnc(C(F)(F)F)s2)s1
InChIInChI=1S/C11H12F3N3S2/c1-6(5-8-4-3-7(2)18-8)15-10-17-16-9(19-10)11(12,13)14/h3-4,6H,5H2,1-2H3,(H,15,17)
InChIKeyBRJVEEHXHLPDHW-UHFFFAOYSA-N
XLogP3.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448598) is N-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is Cc1ccc(CC(C)Nc2nnc(C(F)(F)F)s2)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BRJVEEHXHLPDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3S2/c1-6(5-8-4-3-7(2)18-8)15-10-17-16-9(19-10)11(12,13)14/h3-4,6H,5H2,1-2H3,(H,15,17).
What are the key properties of N-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 307.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).