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

C8H8F2N4S2 — CID 104624418

IUPAC5-(difluoromethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1csc(CNc2nnc(C(F)F)s2)n1
InChIInChI=1S/C8H8F2N4S2/c1-4-3-15-5(12-4)2-11-8-14-13-7(16-8)6(9)10/h3,6H,2H2,1H3,(H,11,14)
InChIKeyCUECNKHTVWTGEY-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.85
Rot. Bonds4

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

5-(difluoromethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 104624418) has the molecular formula C8H8F2N4S2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID104624418
Molecular FormulaC8H8F2N4S2
Molecular Weight262.31 g/mol
Exact Mass262.02
IUPAC Name5-(difluoromethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1csc(CNc2nnc(C(F)F)s2)n1
InChIInChI=1S/C8H8F2N4S2/c1-4-3-15-5(12-4)2-11-8-14-13-7(16-8)6(9)10/h3,6H,2H2,1H3,(H,11,14)
InChIKeyCUECNKHTVWTGEY-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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Related Compounds

N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 45244967
5-Ethyl-N-[(2-methyl-1,3-thiazol-4-YL)methyl]-1,3,4-thiadiazol-2-amine
CID 86782855
2,5-Dimethyl-N-[(4-methyl-1,3-thiazol-2-YL)methyl]-1,2,4-triazol-3-amine
CID 86795149
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 86816656
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 95313114
5-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 48915411
1-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 56824410
1-Methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 86856057
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 95313112
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104599701
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104923811
1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111615765

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(difluoromethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 104624418) is 5-(difluoromethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(difluoromethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(difluoromethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine is Cc1csc(CNc2nnc(C(F)F)s2)n1.
What is the InChIKey of 5-(difluoromethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CUECNKHTVWTGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4S2/c1-4-3-15-5(12-4)2-11-8-14-13-7(16-8)6(9)10/h3,6H,2H2,1H3,(H,11,14).
What are the key properties of 5-(difluoromethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-(difluoromethyl)-N-[(4-methyl-1,3-thiazol-2-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-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 104624418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).