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

C6H9F2N3S — CID 107648391

IUPACN-(1,1-difluoropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC(C)C(F)F)s1
InChIInChI=1S/C6H9F2N3S/c1-3(5(7)8)9-6-11-10-4(2)12-6/h3,5H,1-2H3,(H,9,11)
InChIKeyQACVWASYSXZLFB-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.91
Rot. Bonds3

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

N-(1,1-difluoropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 107648391) has the molecular formula C6H9F2N3S and a molecular weight of 193.22 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID107648391
Molecular FormulaC6H9F2N3S
Molecular Weight193.22 g/mol
Exact Mass193.05
IUPAC NameN-(1,1-difluoropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC(C)C(F)F)s1
InChIInChI=1S/C6H9F2N3S/c1-3(5(7)8)9-6-11-10-4(2)12-6/h3,5H,1-2H3,(H,9,11)
InChIKeyQACVWASYSXZLFB-UHFFFAOYSA-N
XLogP1.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-N-(propan-2-yl)-1,3,4-thiadiazol-2-amine
CID 544670
1,3,4-Thiadiazol-2-amine, 5-trifluoromethyl-N-(1,1-dimethylethyl)-
CID 545453
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
ethane;N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 167491391
5-methyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 65209492
5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine
CID 65209670

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine (CID 107648391) is N-(1,1-difluoropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NC(C)C(F)F)s1.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QACVWASYSXZLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3S/c1-3(5(7)8)9-6-11-10-4(2)12-6/h3,5H,1-2H3,(H,9,11).
What are the key properties of N-(1,1-difluoropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
N-(1,1-difluoropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 193.22 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).