4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine

C9H9F3N4S2 — CID 103349519

IUPAC4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCc1csc(-c2c(N)nsc2NCC(F)(F)F)n1
InChIInChI=1S/C9H9F3N4S2/c1-4-2-17-8(15-4)5-6(13)16-18-7(5)14-3-9(10,11)12/h2,14H,3H2,1H3,(H2,13,16)
InChIKeyARCWQAUNPGGLCC-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.13
Rot. Bonds3

About 4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine

4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103349519) has the molecular formula C9H9F3N4S2 and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID103349519
Molecular FormulaC9H9F3N4S2
Molecular Weight294.33 g/mol
Exact Mass294.02
IUPAC Name4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCc1csc(-c2c(N)nsc2NCC(F)(F)F)n1
InChIInChI=1S/C9H9F3N4S2/c1-4-2-17-8(15-4)5-6(13)16-18-7(5)14-3-9(10,11)12/h2,14H,3H2,1H3,(H2,13,16)
InChIKeyARCWQAUNPGGLCC-UHFFFAOYSA-N
XLogP3.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (CID 103349519) is 4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is Cc1csc(-c2c(N)nsc2NCC(F)(F)F)n1.
What is the InChIKey of 4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is ARCWQAUNPGGLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4S2/c1-4-2-17-8(15-4)5-6(13)16-18-7(5)14-3-9(10,11)12/h2,14H,3H2,1H3,(H2,13,16).
What are the key properties of 4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 294.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).