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

C10H14F3N3S — CID 104924808

IUPACN-[(1-propylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCC1(CNc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C10H14F3N3S/c1-2-3-9(4-5-9)6-14-8-16-15-7(17-8)10(11,12)13/h2-6H2,1H3,(H,14,16)
InChIKeyHGWRLHLPQJGFEC-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.55
Rot. Bonds5

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

N-[(1-propylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 104924808) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is N-[(1-propylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-propylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID104924808
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC NameN-[(1-propylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCC1(CNc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C10H14F3N3S/c1-2-3-9(4-5-9)6-14-8-16-15-7(17-8)10(11,12)13/h2-6H2,1H3,(H,14,16)
InChIKeyHGWRLHLPQJGFEC-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-hexyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21544995
N-(3-methylpentyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 89630345
5-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazol-2-amine
CID 102609063
N-(3-methyl-2-propan-2-ylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 102914147
N-[(2,2-dimethylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104924295
N-(2-ethyl-2-methylsulfanylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104924523
N-(2-propylcyclopropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104924585
N-[(1-methylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104924624
N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104924664
N-[(1-methylcyclobutyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104924673
N-[(1-ethylcyclobutyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104924694
N-[(1-propan-2-ylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104924706

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(1-propylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 104924808) is N-[(1-propylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(1-propylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(1-propylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CCCC1(CNc2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of N-[(1-propylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is HGWRLHLPQJGFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-2-3-9(4-5-9)6-14-8-16-15-7(17-8)10(11,12)13/h2-6H2,1H3,(H,14,16).
What are the key properties of N-[(1-propylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(1-propylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 265.30 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 104924808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).