1-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]-N,N-dimethylmethanamine

C9H14F2N4S — CID 166278706

IUPAC1-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CN(c2nnc(C(F)F)s2)C1
InChIInChI=1S/C9H14F2N4S/c1-14(2)3-6-4-15(5-6)9-13-12-8(16-9)7(10)11/h6-7H,3-5H2,1-2H3
InChIKeyUDSMSHQVXJDTNW-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.47
Rot. Bonds4

About 1-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]-N,N-dimethylmethanamine

1-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]-N,N-dimethylmethanamine (PubChem CID 166278706) has the molecular formula C9H14F2N4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]-N,N-dimethylmethanamine
PubChem CID166278706
Molecular FormulaC9H14F2N4S
Molecular Weight248.30 g/mol
Exact Mass248.09
IUPAC Name1-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CN(c2nnc(C(F)F)s2)C1
InChIInChI=1S/C9H14F2N4S/c1-14(2)3-6-4-15(5-6)9-13-12-8(16-9)7(10)11/h6-7H,3-5H2,1-2H3
InChIKeyUDSMSHQVXJDTNW-UHFFFAOYSA-N
XLogP1.47
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]-N,N-dimethylmethanamine (CID 166278706) is 1-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]-N,N-dimethylmethanamine is CN(C)CC1CN(c2nnc(C(F)F)s2)C1.
What is the InChIKey of 1-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]-N,N-dimethylmethanamine?
The InChIKey is UDSMSHQVXJDTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4S/c1-14(2)3-6-4-15(5-6)9-13-12-8(16-9)7(10)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]-N,N-dimethylmethanamine?
1-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]-N,N-dimethylmethanamine has a molecular weight of 248.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 166278706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).