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

C6H8F3N3S — CID 82105764

IUPACN-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H8F3N3S/c1-3(2)10-5-12-11-4(13-5)6(7,8)9/h3H,1-2H3,(H,10,12)
InChIKeyOOXVIFMJASQVCC-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.38
Rot. Bonds2

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

N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 82105764) has the molecular formula C6H8F3N3S and a molecular weight of 211.21 g/mol. Its IUPAC name is N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID82105764
Molecular FormulaC6H8F3N3S
Molecular Weight211.21 g/mol
Exact Mass211.04
IUPAC NameN-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H8F3N3S/c1-3(2)10-5-12-11-4(13-5)6(7,8)9/h3H,1-2H3,(H,10,12)
InChIKeyOOXVIFMJASQVCC-UHFFFAOYSA-N
XLogP2.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 82105764) is N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC(C)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is OOXVIFMJASQVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S/c1-3(2)10-5-12-11-4(13-5)6(7,8)9/h3H,1-2H3,(H,10,12).
What are the key properties of N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 211.21 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82105764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).