3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide

C8H14N4O3S2 — CID 114112760

IUPAC3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide
SMILESCCS(=O)(=O)CCNc1snc(N)c1C(N)=O
InChIInChI=1S/C8H14N4O3S2/c1-2-17(14,15)4-3-11-8-5(7(10)13)6(9)12-16-8/h11H,2-4H2,1H3,(H2,9,12)(H2,10,13)
InChIKeyMDNVNIZAWDFRKF-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.33
Rot. Bonds6

About 3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide

3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide (PubChem CID 114112760) has the molecular formula C8H14N4O3S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide
PubChem CID114112760
Molecular FormulaC8H14N4O3S2
Molecular Weight278.36 g/mol
Exact Mass278.05
IUPAC Name3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide
SMILESCCS(=O)(=O)CCNc1snc(N)c1C(N)=O
InChIInChI=1S/C8H14N4O3S2/c1-2-17(14,15)4-3-11-8-5(7(10)13)6(9)12-16-8/h11H,2-4H2,1H3,(H2,9,12)(H2,10,13)
InChIKeyMDNVNIZAWDFRKF-UHFFFAOYSA-N
XLogP-0.33
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382771
3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide
CID 103380049
3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382889
3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383143
3-amino-5-[2-[cyclopropyl(methyl)amino]ethylamino]-1,2-thiazole-4-carboxamide
CID 103380080
3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide
CID 103384104
3-amino-5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1,2-thiazole-4-carboxamide
CID 114113452
3-amino-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,2-thiazole-4-carboxamide
CID 114140207
3-amino-5-[2-(1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxamide
CID 103380154
3-amino-5-(2,2-dimethylhydrazinyl)-1,2-thiazole-4-carboxamide
CID 103383737
3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide
CID 114133625
3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 103379243

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide (CID 114112760) is 3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide is CCS(=O)(=O)CCNc1snc(N)c1C(N)=O.
What is the InChIKey of 3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is MDNVNIZAWDFRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S2/c1-2-17(14,15)4-3-11-8-5(7(10)13)6(9)12-16-8/h11H,2-4H2,1H3,(H2,9,12)(H2,10,13).
What are the key properties of 3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide?
3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 278.36 g/mol, XLogP of -0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 114112760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).