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

C10H14F3N3S — CID 104924706

IUPACN-[(1-propan-2-ylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)C1(CNc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C10H14F3N3S/c1-6(2)9(3-4-9)5-14-8-16-15-7(17-8)10(11,12)13/h6H,3-5H2,1-2H3,(H,14,16)
InChIKeyVOMMCKIZEYEHHW-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.40
Rot. Bonds4

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

N-[(1-propan-2-ylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 104924706) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is N-[(1-propan-2-ylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID104924706
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC NameN-[(1-propan-2-ylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)C1(CNc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C10H14F3N3S/c1-6(2)9(3-4-9)5-14-8-16-15-7(17-8)10(11,12)13/h6H,3-5H2,1-2H3,(H,14,16)
InChIKeyVOMMCKIZEYEHHW-UHFFFAOYSA-N
XLogP3.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol
CID 114448526
4,4-dimethyl-1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclohexan-1-ol
CID 114449710
2-[1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopropyl]ethanol
CID 114749641
N-(2,3-dimethylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448606
1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclobutane-1-carboxylic acid
CID 114449455
1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cycloheptane-1-carboxylic acid
CID 114449454
N',N'-di(propan-2-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 114448079
3-methyl-2-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]butanoic acid
CID 114449398
(3R)-3-methyl-4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-1-ol
CID 99700531
N'-methyl-N'-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 114448473
5-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 130658585
N',N'-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 114448040

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(1-propan-2-ylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 104924706) is N-[(1-propan-2-ylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(1-propan-2-ylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(1-propan-2-ylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC(C)C1(CNc2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of N-[(1-propan-2-ylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VOMMCKIZEYEHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-6(2)9(3-4-9)5-14-8-16-15-7(17-8)10(11,12)13/h6H,3-5H2,1-2H3,(H,14,16).
What are the key properties of N-[(1-propan-2-ylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(1-propan-2-ylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 265.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 104924706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).