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

C8H8F2N4S2 — CID 104624420

IUPAC5-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ncc(CNc2nnc(C(F)F)s2)s1
InChIInChI=1S/C8H8F2N4S2/c1-4-11-2-5(15-4)3-12-8-14-13-7(16-8)6(9)10/h2,6H,3H2,1H3,(H,12,14)
InChIKeyZZZUEMGMAIDQQI-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.85
Rot. Bonds4

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

5-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 104624420) has the molecular formula C8H8F2N4S2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID104624420
Molecular FormulaC8H8F2N4S2
Molecular Weight262.31 g/mol
Exact Mass262.02
IUPAC Name5-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ncc(CNc2nnc(C(F)F)s2)s1
InChIInChI=1S/C8H8F2N4S2/c1-4-11-2-5(15-4)3-12-8-14-13-7(16-8)6(9)10/h2,6H,3H2,1H3,(H,12,14)
InChIKeyZZZUEMGMAIDQQI-UHFFFAOYSA-N
XLogP2.85
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 104624420) is 5-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine is Cc1ncc(CNc2nnc(C(F)F)s2)s1.
What is the InChIKey of 5-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ZZZUEMGMAIDQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4S2/c1-4-11-2-5(15-4)3-12-8-14-13-7(16-8)6(9)10/h2,6H,3H2,1H3,(H,12,14).
What are the key properties of 5-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 262.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 104624420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).