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

C10H17N3O2S3 — CID 107299141

IUPAC4-ethylsulfonyl-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NCC1CCSC1
InChIInChI=1S/C10H17N3O2S3/c1-2-18(14,15)8-9(11)13-17-10(8)12-5-7-3-4-16-6-7/h7,12H,2-6H2,1H3,(H2,11,13)
InChIKeyIJURCISWDMUNNZ-UHFFFAOYSA-N
MW307.47 g/mol
LogP1.68
Rot. Bonds5

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

4-ethylsulfonyl-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 107299141) has the molecular formula C10H17N3O2S3 and a molecular weight of 307.47 g/mol. Its IUPAC name is 4-ethylsulfonyl-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethylsulfonyl-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID107299141
Molecular FormulaC10H17N3O2S3
Molecular Weight307.47 g/mol
Exact Mass307.05
IUPAC Name4-ethylsulfonyl-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NCC1CCSC1
InChIInChI=1S/C10H17N3O2S3/c1-2-18(14,15)8-9(11)13-17-10(8)12-5-7-3-4-16-6-7/h7,12H,2-6H2,1H3,(H2,11,13)
InChIKeyIJURCISWDMUNNZ-UHFFFAOYSA-N
XLogP1.68
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethylsulfonyl-5-N-[(4-methylcyclohexyl)methyl]-1,2-thiazole-3,5-diamine
CID 103361172
5-N-(3-cyclopropylpropyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365719
5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382331
4-ethylsulfonyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 106029236
4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 107299145
4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103363369
4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103363342
4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine
CID 103360963
5-N-but-3-enyl-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365459
4-ethylsulfonyl-5-N-[(2-methylthiolan-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103364732
5-N-(3-ethylcyclohexyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359765
5-N-(1-ethylpiperidin-4-yl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359345

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethylsulfonyl-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine (CID 107299141) is 4-ethylsulfonyl-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethylsulfonyl-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethylsulfonyl-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine is CCS(=O)(=O)c1c(N)nsc1NCC1CCSC1.
What is the InChIKey of 4-ethylsulfonyl-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is IJURCISWDMUNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S3/c1-2-18(14,15)8-9(11)13-17-10(8)12-5-7-3-4-16-6-7/h7,12H,2-6H2,1H3,(H2,11,13).
What are the key properties of 4-ethylsulfonyl-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
4-ethylsulfonyl-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 307.47 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 107299141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).