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

C7H5F3N4S2 — CID 106784369

IUPACN-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2cnc(C(F)(F)F)s2)s1
InChIInChI=1S/C7H5F3N4S2/c1-11-6-14-13-4(16-6)3-2-12-5(15-3)7(8,9)10/h2H,1H3,(H,11,14)
InChIKeyMMRCBCZYTWUBNW-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.72
Rot. Bonds2

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

N-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 106784369) has the molecular formula C7H5F3N4S2 and a molecular weight of 266.27 g/mol. Its IUPAC name is N-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
PubChem CID106784369
Molecular FormulaC7H5F3N4S2
Molecular Weight266.27 g/mol
Exact Mass265.99
IUPAC NameN-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2cnc(C(F)(F)F)s2)s1
InChIInChI=1S/C7H5F3N4S2/c1-11-6-14-13-4(16-6)3-2-12-5(15-3)7(8,9)10/h2H,1H3,(H,11,14)
InChIKeyMMRCBCZYTWUBNW-UHFFFAOYSA-N
XLogP2.72
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (CID 106784369) is N-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is CNc1nnc(-c2cnc(C(F)(F)F)s2)s1.
What is the InChIKey of N-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MMRCBCZYTWUBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4S2/c1-11-6-14-13-4(16-6)3-2-12-5(15-3)7(8,9)10/h2H,1H3,(H,11,14).
What are the key properties of N-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
N-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 266.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106784369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).