4-ethylsulfonyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-diamine

C11H15N3O2S3 — CID 103360412

IUPAC4-ethylsulfonyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1N(C)Cc1cccs1
InChIInChI=1S/C11H15N3O2S3/c1-3-19(15,16)9-10(12)13-18-11(9)14(2)7-8-5-4-6-17-8/h4-6H,3,7H2,1-2H3,(H2,12,13)
InChIKeySJJLQCLIKSVGGM-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.22
Rot. Bonds5

About 4-ethylsulfonyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-diamine

4-ethylsulfonyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360412) has the molecular formula C11H15N3O2S3 and a molecular weight of 317.46 g/mol. Its IUPAC name is 4-ethylsulfonyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethylsulfonyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103360412
Molecular FormulaC11H15N3O2S3
Molecular Weight317.46 g/mol
Exact Mass317.03
IUPAC Name4-ethylsulfonyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1N(C)Cc1cccs1
InChIInChI=1S/C11H15N3O2S3/c1-3-19(15,16)9-10(12)13-18-11(9)14(2)7-8-5-4-6-17-8/h4-6H,3,7H2,1-2H3,(H2,12,13)
InChIKeySJJLQCLIKSVGGM-UHFFFAOYSA-N
XLogP2.22
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-[(4-bromophenyl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103361892
3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379420
3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103379422
3-amino-N-cyclopropyl-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379419
4-ethylsulfonyl-5-N-(2-methyl-1-thiophen-2-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103360127
1-N-methyl-3-methylsulfonyl-1-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 82003034
2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 116796444
2-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62798161
5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-2,5-diamine
CID 43527362
2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene
CID 112684189
6-amino-N-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146950
N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681457

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethylsulfonyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103360412) is 4-ethylsulfonyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethylsulfonyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethylsulfonyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-diamine is CCS(=O)(=O)c1c(N)nsc1N(C)Cc1cccs1.
What is the InChIKey of 4-ethylsulfonyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is SJJLQCLIKSVGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S3/c1-3-19(15,16)9-10(12)13-18-11(9)14(2)7-8-5-4-6-17-8/h4-6H,3,7H2,1-2H3,(H2,12,13).
What are the key properties of 4-ethylsulfonyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-diamine?
4-ethylsulfonyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 317.46 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).