4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine

C8H10N4O2S3 — CID 103378499

IUPAC4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCS(=O)(=O)c1c(N)nsc1NCc1nccs1
InChIInChI=1S/C8H10N4O2S3/c1-17(13,14)6-7(9)12-16-8(6)11-4-5-10-2-3-15-5/h2-3,11H,4H2,1H3,(H2,9,12)
InChIKeySCZDXSJMUTYNNU-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.20
Rot. Bonds4

About 4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine

4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103378499) has the molecular formula C8H10N4O2S3 and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103378499
Molecular FormulaC8H10N4O2S3
Molecular Weight290.39 g/mol
Exact Mass290.00
IUPAC Name4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCS(=O)(=O)c1c(N)nsc1NCc1nccs1
InChIInChI=1S/C8H10N4O2S3/c1-17(13,14)6-7(9)12-16-8(6)11-4-5-10-2-3-15-5/h2-3,11H,4H2,1H3,(H2,9,12)
InChIKeySCZDXSJMUTYNNU-UHFFFAOYSA-N
XLogP1.20
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-[(5-ethylthiophen-2-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 106015690
4-phenyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103378502
5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103378174
5-N-[(2,5-difluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103380643
5-N-(2-methylsulfanylethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103381226
5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382331
4-ethylsulfonyl-5-N-[(1-methylimidazol-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103361210
5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103383159
5-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382745
2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61283283
3-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103741
5-N-[2-(3-methylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103379939

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103378499) is 4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine is CS(=O)(=O)c1c(N)nsc1NCc1nccs1.
What is the InChIKey of 4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is SCZDXSJMUTYNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S3/c1-17(13,14)6-7(9)12-16-8(6)11-4-5-10-2-3-15-5/h2-3,11H,4H2,1H3,(H2,9,12).
What are the key properties of 4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine?
4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 290.39 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103378499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).