N-[[1-(difluoromethyl)cyclopropyl]methyl]-1,2,4-thiadiazol-5-amine

C7H9F2N3S — CID 130708125

IUPACN-[[1-(difluoromethyl)cyclopropyl]methyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)C1(CNc2ncns2)CC1
InChIInChI=1S/C7H9F2N3S/c8-5(9)7(1-2-7)3-10-6-11-4-12-13-6/h4-5H,1-3H2,(H,10,11,12)
InChIKeySXXGZDBHPKOOIL-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.00
Rot. Bonds4

About N-[[1-(difluoromethyl)cyclopropyl]methyl]-1,2,4-thiadiazol-5-amine

N-[[1-(difluoromethyl)cyclopropyl]methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 130708125) has the molecular formula C7H9F2N3S and a molecular weight of 205.23 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)cyclopropyl]methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)cyclopropyl]methyl]-1,2,4-thiadiazol-5-amine
PubChem CID130708125
Molecular FormulaC7H9F2N3S
Molecular Weight205.23 g/mol
Exact Mass205.05
IUPAC NameN-[[1-(difluoromethyl)cyclopropyl]methyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)C1(CNc2ncns2)CC1
InChIInChI=1S/C7H9F2N3S/c8-5(9)7(1-2-7)3-10-6-11-4-12-13-6/h4-5H,1-3H2,(H,10,11,12)
InChIKeySXXGZDBHPKOOIL-UHFFFAOYSA-N
XLogP2.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)cyclopropyl]methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[1-(difluoromethyl)cyclopropyl]methyl]-1,2,4-thiadiazol-5-amine (CID 130708125) is N-[[1-(difluoromethyl)cyclopropyl]methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)cyclopropyl]methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[1-(difluoromethyl)cyclopropyl]methyl]-1,2,4-thiadiazol-5-amine is FC(F)C1(CNc2ncns2)CC1.
What is the InChIKey of N-[[1-(difluoromethyl)cyclopropyl]methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is SXXGZDBHPKOOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3S/c8-5(9)7(1-2-7)3-10-6-11-4-12-13-6/h4-5H,1-3H2,(H,10,11,12).
What are the key properties of N-[[1-(difluoromethyl)cyclopropyl]methyl]-1,2,4-thiadiazol-5-amine?
N-[[1-(difluoromethyl)cyclopropyl]methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 205.23 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)cyclopropyl]methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130708125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).