5-N-(2-methyl-3-methylsulfanylpropyl)-4-phenyl-1,2-thiazole-3,5-diamine

C14H19N3S2 — CID 103381246

IUPAC5-N-(2-methyl-3-methylsulfanylpropyl)-4-phenyl-1,2-thiazole-3,5-diamine
SMILESCSCC(C)CNc1snc(N)c1-c1ccccc1
InChIInChI=1S/C14H19N3S2/c1-10(9-18-2)8-16-14-12(13(15)17-19-14)11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H2,15,17)
InChIKeyOJHCFTHHWDRBGX-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.80
Rot. Bonds6

About 5-N-(2-methyl-3-methylsulfanylpropyl)-4-phenyl-1,2-thiazole-3,5-diamine

5-N-(2-methyl-3-methylsulfanylpropyl)-4-phenyl-1,2-thiazole-3,5-diamine (PubChem CID 103381246) has the molecular formula C14H19N3S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 5-N-(2-methyl-3-methylsulfanylpropyl)-4-phenyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-methyl-3-methylsulfanylpropyl)-4-phenyl-1,2-thiazole-3,5-diamine
PubChem CID103381246
Molecular FormulaC14H19N3S2
Molecular Weight293.46 g/mol
Exact Mass293.10
IUPAC Name5-N-(2-methyl-3-methylsulfanylpropyl)-4-phenyl-1,2-thiazole-3,5-diamine
SMILESCSCC(C)CNc1snc(N)c1-c1ccccc1
InChIInChI=1S/C14H19N3S2/c1-10(9-18-2)8-16-14-12(13(15)17-19-14)11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H2,15,17)
InChIKeyOJHCFTHHWDRBGX-UHFFFAOYSA-N
XLogP3.80
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methyl-3-methylsulfanylpropyl)-4-phenyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-methyl-3-methylsulfanylpropyl)-4-phenyl-1,2-thiazole-3,5-diamine (CID 103381246) is 5-N-(2-methyl-3-methylsulfanylpropyl)-4-phenyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-methyl-3-methylsulfanylpropyl)-4-phenyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-methyl-3-methylsulfanylpropyl)-4-phenyl-1,2-thiazole-3,5-diamine is CSCC(C)CNc1snc(N)c1-c1ccccc1.
What is the InChIKey of 5-N-(2-methyl-3-methylsulfanylpropyl)-4-phenyl-1,2-thiazole-3,5-diamine?
The InChIKey is OJHCFTHHWDRBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S2/c1-10(9-18-2)8-16-14-12(13(15)17-19-14)11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H2,15,17).
What are the key properties of 5-N-(2-methyl-3-methylsulfanylpropyl)-4-phenyl-1,2-thiazole-3,5-diamine?
5-N-(2-methyl-3-methylsulfanylpropyl)-4-phenyl-1,2-thiazole-3,5-diamine has a molecular weight of 293.46 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methyl-3-methylsulfanylpropyl)-4-phenyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103381246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).