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

C10H14F3N3S — CID 133429617

IUPACN-(cyclopropylmethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(CCC(F)(F)F)CC2CC2)n1
InChIInChI=1S/C10H14F3N3S/c1-7-14-9(17-15-7)16(6-8-2-3-8)5-4-10(11,12)13/h8H,2-6H2,1H3
InChIKeyTZWVWFHJWKCIBT-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.02
Rot. Bonds5

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

N-(cyclopropylmethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133429617) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
PubChem CID133429617
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC NameN-(cyclopropylmethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(CCC(F)(F)F)CC2CC2)n1
InChIInChI=1S/C10H14F3N3S/c1-7-14-9(17-15-7)16(6-8-2-3-8)5-4-10(11,12)13/h8H,2-6H2,1H3
InChIKeyTZWVWFHJWKCIBT-UHFFFAOYSA-N
XLogP3.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(cyclopropylmethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine (CID 133429617) is N-(cyclopropylmethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(cyclopropylmethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(N(CCC(F)(F)F)CC2CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is TZWVWFHJWKCIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-7-14-9(17-15-7)16(6-8-2-3-8)5-4-10(11,12)13/h8H,2-6H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
N-(cyclopropylmethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 265.30 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133429617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).