5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine

C12H24N4O3S2 — CID 103361069

IUPAC5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1NCCN(C)CCOC
InChIInChI=1S/C12H24N4O3S2/c1-4-9-21(17,18)10-11(13)15-20-12(10)14-5-6-16(2)7-8-19-3/h14H,4-9H2,1-3H3,(H2,13,15)
InChIKeySAQHOIDJECZDDB-UHFFFAOYSA-N
MW336.48 g/mol
LogP0.90
Rot. Bonds10

About 5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine

5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103361069) has the molecular formula C12H24N4O3S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103361069
Molecular FormulaC12H24N4O3S2
Molecular Weight336.48 g/mol
Exact Mass336.13
IUPAC Name5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1NCCN(C)CCOC
InChIInChI=1S/C12H24N4O3S2/c1-4-9-21(17,18)10-11(13)15-20-12(10)14-5-6-16(2)7-8-19-3/h14H,4-9H2,1-3H3,(H2,13,15)
InChIKeySAQHOIDJECZDDB-UHFFFAOYSA-N
XLogP0.90
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-cyclopropylsulfonyl-5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
CID 103349132
3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380065
5-N-(1-methoxypropan-2-yl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103363481
N-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide
CID 103364028
4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine
CID 103365343
4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine
CID 103359563
5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103360766
5-N-(2-morpholin-4-ylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103363694
5-N-[2-(1H-imidazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359875
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 106412743
5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 106044505
3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103363380

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine (CID 103361069) is 5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine is CCCS(=O)(=O)c1c(N)nsc1NCCN(C)CCOC.
What is the InChIKey of 5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is SAQHOIDJECZDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S2/c1-4-9-21(17,18)10-11(13)15-20-12(10)14-5-6-16(2)7-8-19-3/h14H,4-9H2,1-3H3,(H2,13,15).
What are the key properties of 5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 336.48 g/mol, XLogP of 0.90, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).