5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine

C6H8F3N3S — CID 65209670

IUPAC5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCC(F)(F)F)s1
InChIInChI=1S/C6H8F3N3S/c1-4-11-12-5(13-4)10-3-2-6(7,8)9/h2-3H2,1H3,(H,10,12)
InChIKeyTWMIGSUMJSFYFJ-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.21
Rot. Bonds3

About 5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine

5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 65209670) has the molecular formula C6H8F3N3S and a molecular weight of 211.21 g/mol. Its IUPAC name is 5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine
PubChem CID65209670
Molecular FormulaC6H8F3N3S
Molecular Weight211.21 g/mol
Exact Mass211.04
IUPAC Name5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCC(F)(F)F)s1
InChIInChI=1S/C6H8F3N3S/c1-4-11-12-5(13-4)10-3-2-6(7,8)9/h2-3H2,1H3,(H,10,12)
InChIKeyTWMIGSUMJSFYFJ-UHFFFAOYSA-N
XLogP2.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 2775323
5-Methyl-N-(propan-2-yl)-1,3,4-thiadiazol-2-amine
CID 544670
N-(5-Methyl-1,3,4-thiadiazol-2-YL)-N-neopentylamine
CID 2798093
1,3,4-Thiadiazol-2-amine, 5-trifluoromethyl-N-(1,1-dimethylethyl)-
CID 545453
2-N,2-N,2-trimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 86800409
N-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 13229757
N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 20567422
N-hexyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21544995
N-propyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21545013
N-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21545056
N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine
CID 59230097
N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 82105764

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine (CID 65209670) is 5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine is Cc1nnc(NCCC(F)(F)F)s1.
What is the InChIKey of 5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is TWMIGSUMJSFYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S/c1-4-11-12-5(13-4)10-3-2-6(7,8)9/h2-3H2,1H3,(H,10,12).
What are the key properties of 5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine?
5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 211.21 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65209670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).