N-[[1-(difluoromethyl)cyclopropyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine

C8H11F2N3S — CID 130703981

IUPACN-[[1-(difluoromethyl)cyclopropyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2(C(F)F)CC2)s1
InChIInChI=1S/C8H11F2N3S/c1-5-12-13-7(14-5)11-4-8(2-3-8)6(9)10/h6H,2-4H2,1H3,(H,11,13)
InChIKeyHMTLLPIOUMTYPU-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.30
Rot. Bonds4

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

N-[[1-(difluoromethyl)cyclopropyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 130703981) has the molecular formula C8H11F2N3S and a molecular weight of 219.26 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)cyclopropyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)cyclopropyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID130703981
Molecular FormulaC8H11F2N3S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC NameN-[[1-(difluoromethyl)cyclopropyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2(C(F)F)CC2)s1
InChIInChI=1S/C8H11F2N3S/c1-5-12-13-7(14-5)11-4-8(2-3-8)6(9)10/h6H,2-4H2,1H3,(H,11,13)
InChIKeyHMTLLPIOUMTYPU-UHFFFAOYSA-N
XLogP2.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.30
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]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[1-(difluoromethyl)cyclopropyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 130703981) is N-[[1-(difluoromethyl)cyclopropyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)cyclopropyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[1-(difluoromethyl)cyclopropyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NCC2(C(F)F)CC2)s1.
What is the InChIKey of N-[[1-(difluoromethyl)cyclopropyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HMTLLPIOUMTYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3S/c1-5-12-13-7(14-5)11-4-8(2-3-8)6(9)10/h6H,2-4H2,1H3,(H,11,13).
What are the key properties of N-[[1-(difluoromethyl)cyclopropyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[[1-(difluoromethyl)cyclopropyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 219.26 g/mol, XLogP of 2.30, 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]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130703981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).