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

C8H7F3N4S3 — CID 119042852

IUPACN-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(SCc2nc(C(F)(F)F)cs2)s1
InChIInChI=1S/C8H7F3N4S3/c1-12-6-14-15-7(18-6)17-3-5-13-4(2-16-5)8(9,10)11/h2H,3H2,1H3,(H,12,14)
InChIKeyYSUVGRSJKCOCPO-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.35
Rot. Bonds4

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

N-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 119042852) has the molecular formula C8H7F3N4S3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID119042852
Molecular FormulaC8H7F3N4S3
Molecular Weight312.37 g/mol
Exact Mass311.98
IUPAC NameN-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(SCc2nc(C(F)(F)F)cs2)s1
InChIInChI=1S/C8H7F3N4S3/c1-12-6-14-15-7(18-6)17-3-5-13-4(2-16-5)8(9,10)11/h2H,3H2,1H3,(H,12,14)
InChIKeyYSUVGRSJKCOCPO-UHFFFAOYSA-N
XLogP3.35
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 119042852) is N-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is CNc1nnc(SCc2nc(C(F)(F)F)cs2)s1.
What is the InChIKey of N-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is YSUVGRSJKCOCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4S3/c1-12-6-14-15-7(18-6)17-3-5-13-4(2-16-5)8(9,10)11/h2H,3H2,1H3,(H,12,14).
What are the key properties of N-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 312.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 119042852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).