[5-(2-fluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine

C6H10FN3S — CID 130561788

IUPAC[5-(2-fluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCC(C)(F)c1nnc(CN)s1
InChIInChI=1S/C6H10FN3S/c1-6(2,7)5-10-9-4(3-8)11-5/h3,8H2,1-2H3
InChIKeyLKHRCMLRWVQNLV-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.20
Rot. Bonds2

About [5-(2-fluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine

[5-(2-fluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 130561788) has the molecular formula C6H10FN3S and a molecular weight of 175.23 g/mol. Its IUPAC name is [5-(2-fluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-fluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID130561788
Molecular FormulaC6H10FN3S
Molecular Weight175.23 g/mol
Exact Mass175.06
IUPAC Name[5-(2-fluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCC(C)(F)c1nnc(CN)s1
InChIInChI=1S/C6H10FN3S/c1-6(2,7)5-10-9-4(3-8)11-5/h3,8H2,1-2H3
InChIKeyLKHRCMLRWVQNLV-UHFFFAOYSA-N
XLogP1.20
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(2-fluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine (CID 130561788) is [5-(2-fluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(2-fluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(2-fluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine is CC(C)(F)c1nnc(CN)s1.
What is the InChIKey of [5-(2-fluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is LKHRCMLRWVQNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3S/c1-6(2,7)5-10-9-4(3-8)11-5/h3,8H2,1-2H3.
What are the key properties of [5-(2-fluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine?
[5-(2-fluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 175.23 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 130561788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).