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

C8H7F3N4S2 — CID 113353610

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nc(CNc2nnc(C(F)(F)F)s2)cs1
InChIInChI=1S/C8H7F3N4S2/c1-4-13-5(3-16-4)2-12-7-15-14-6(17-7)8(9,10)11/h3H,2H2,1H3,(H,12,15)
InChIKeyCDITXKOUBQKNJK-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.93
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 113353610) has the molecular formula C8H7F3N4S2 and a molecular weight of 280.30 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID113353610
Molecular FormulaC8H7F3N4S2
Molecular Weight280.30 g/mol
Exact Mass280.01
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nc(CNc2nnc(C(F)(F)F)s2)cs1
InChIInChI=1S/C8H7F3N4S2/c1-4-13-5(3-16-4)2-12-7-15-14-6(17-7)8(9,10)11/h3H,2H2,1H3,(H,12,15)
InChIKeyCDITXKOUBQKNJK-UHFFFAOYSA-N
XLogP2.93
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.93
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
1-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 71857880
5-Ethyl-N-[(2-methyl-1,3-thiazol-4-YL)methyl]-1,3,4-thiadiazol-2-amine
CID 86782855
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-(1,3-Thiazol-4-ylmethyl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-YL]piperazine
CID 77093576
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
5-(difluoromethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 104624418

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 113353610) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is Cc1nc(CNc2nnc(C(F)(F)F)s2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CDITXKOUBQKNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4S2/c1-4-13-5(3-16-4)2-12-7-15-14-6(17-7)8(9,10)11/h3H,2H2,1H3,(H,12,15).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 280.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 113353610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).