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

C9H10F3N5S2 — CID 86816656

IUPACN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nc(CNc2nnc(C(F)(F)F)s2)cs1
InChIInChI=1S/C9H10F3N5S2/c1-17(2)8-14-5(4-18-8)3-13-7-16-15-6(19-7)9(10,11)12/h4H,3H2,1-2H3,(H,13,16)
InChIKeyAJCRZKPYSCGZIX-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.69
Rot. Bonds4

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

N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 86816656) has the molecular formula C9H10F3N5S2 and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID86816656
Molecular FormulaC9H10F3N5S2
Molecular Weight309.34 g/mol
Exact Mass309.03
IUPAC NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nc(CNc2nnc(C(F)(F)F)s2)cs1
InChIInChI=1S/C9H10F3N5S2/c1-17(2)8-14-5(4-18-8)3-13-7-16-15-6(19-7)9(10,11)12/h4H,3H2,1-2H3,(H,13,16)
InChIKeyAJCRZKPYSCGZIX-UHFFFAOYSA-N
XLogP2.69
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 86816656) is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CN(C)c1nc(CNc2nnc(C(F)(F)F)s2)cs1.
What is the InChIKey of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is AJCRZKPYSCGZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5S2/c1-17(2)8-14-5(4-18-8)3-13-7-16-15-6(19-7)9(10,11)12/h4H,3H2,1-2H3,(H,13,16).
What are the key properties of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 309.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 86816656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).