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

C9H8F3N3S2 — CID 113353607

IUPACN-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(CNc2nnc(C(F)(F)F)s2)s1
InChIInChI=1S/C9H8F3N3S2/c1-5-2-3-6(16-5)4-13-8-15-14-7(17-8)9(10,11)12/h2-3H,4H2,1H3,(H,13,15)
InChIKeyYWONZMCBWWFBNX-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.54
Rot. Bonds3

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

N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 113353607) has the molecular formula C9H8F3N3S2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID113353607
Molecular FormulaC9H8F3N3S2
Molecular Weight279.31 g/mol
Exact Mass279.01
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(CNc2nnc(C(F)(F)F)s2)s1
InChIInChI=1S/C9H8F3N3S2/c1-5-2-3-6(16-5)4-13-8-15-14-7(17-8)9(10,11)12/h2-3H,4H2,1H3,(H,13,15)
InChIKeyYWONZMCBWWFBNX-UHFFFAOYSA-N
XLogP3.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 113353607) is N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is Cc1ccc(CNc2nnc(C(F)(F)F)s2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is YWONZMCBWWFBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3S2/c1-5-2-3-6(16-5)4-13-8-15-14-7(17-8)9(10,11)12/h2-3H,4H2,1H3,(H,13,15).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 279.31 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 113353607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).