2-N-(2-methylsulfinylethyl)-1,3-thiazole-2,5-diamine

C6H11N3OS2 — CID 102769037

IUPAC2-N-(2-methylsulfinylethyl)-1,3-thiazole-2,5-diamine
SMILESCS(=O)CCNc1ncc(N)s1
InChIInChI=1S/C6H11N3OS2/c1-12(10)3-2-8-6-9-4-5(7)11-6/h4H,2-3,7H2,1H3,(H,8,9)
InChIKeySQQOABMZGXRUSU-UHFFFAOYSA-N
MW205.31 g/mol
LogP0.52
Rot. Bonds4

About 2-N-(2-methylsulfinylethyl)-1,3-thiazole-2,5-diamine

2-N-(2-methylsulfinylethyl)-1,3-thiazole-2,5-diamine (PubChem CID 102769037) has the molecular formula C6H11N3OS2 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-N-(2-methylsulfinylethyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-methylsulfinylethyl)-1,3-thiazole-2,5-diamine
PubChem CID102769037
Molecular FormulaC6H11N3OS2
Molecular Weight205.31 g/mol
Exact Mass205.03
IUPAC Name2-N-(2-methylsulfinylethyl)-1,3-thiazole-2,5-diamine
SMILESCS(=O)CCNc1ncc(N)s1
InChIInChI=1S/C6H11N3OS2/c1-12(10)3-2-8-6-9-4-5(7)11-6/h4H,2-3,7H2,1H3,(H,8,9)
InChIKeySQQOABMZGXRUSU-UHFFFAOYSA-N
XLogP0.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-amino-1,3-thiazol-2-yl)amino]propanamide
CID 102767632
3-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol
CID 87787723
2-N-[(E)-pent-3-enyl]-1,3-thiazole-2,5-diamine
CID 102769013
2-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2,5-diamine
CID 102767758
2-N-[4-(dimethylamino)butyl]-1,3-thiazole-2,5-diamine
CID 102768195
N-(3-methylsulfinylpropyl)-5-nitro-1,3-thiazol-2-amine
CID 102771097
1-[(5-amino-1,3-thiazol-2-yl)amino]propan-2-ol
CID 102767603
2-[2-[(5-amino-1,3-thiazol-2-yl)amino]ethoxy]ethanol
CID 102768305
2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-2,5-diamine
CID 102768451
2-[(5-amino-1,3-thiazol-2-yl)amino]-N-propan-2-ylacetamide
CID 102767648
2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine
CID 102767271
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine
CID 106037262

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylsulfinylethyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(2-methylsulfinylethyl)-1,3-thiazole-2,5-diamine (CID 102769037) is 2-N-(2-methylsulfinylethyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-methylsulfinylethyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(2-methylsulfinylethyl)-1,3-thiazole-2,5-diamine is CS(=O)CCNc1ncc(N)s1.
What is the InChIKey of 2-N-(2-methylsulfinylethyl)-1,3-thiazole-2,5-diamine?
The InChIKey is SQQOABMZGXRUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS2/c1-12(10)3-2-8-6-9-4-5(7)11-6/h4H,2-3,7H2,1H3,(H,8,9).
What are the key properties of 2-N-(2-methylsulfinylethyl)-1,3-thiazole-2,5-diamine?
2-N-(2-methylsulfinylethyl)-1,3-thiazole-2,5-diamine has a molecular weight of 205.31 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylsulfinylethyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102769037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).