2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide

C7H11N3O3S2 — CID 103307161

IUPAC2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide
SMILESCCS(=O)(=O)NC(=O)c1csc(CN)n1
InChIInChI=1S/C7H11N3O3S2/c1-2-15(12,13)10-7(11)5-4-14-6(3-8)9-5/h4H,2-3,8H2,1H3,(H,10,11)
InChIKeyZZSLUQJXVYZLQC-UHFFFAOYSA-N
MW249.32 g/mol
LogP-0.32
Rot. Bonds4

About 2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide (PubChem CID 103307161) has the molecular formula C7H11N3O3S2 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide
PubChem CID103307161
Molecular FormulaC7H11N3O3S2
Molecular Weight249.32 g/mol
Exact Mass249.02
IUPAC Name2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide
SMILESCCS(=O)(=O)NC(=O)c1csc(CN)n1
InChIInChI=1S/C7H11N3O3S2/c1-2-15(12,13)10-7(11)5-4-14-6(3-8)9-5/h4H,2-3,8H2,1H3,(H,10,11)
InChIKeyZZSLUQJXVYZLQC-UHFFFAOYSA-N
XLogP-0.32
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119754236
2-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66380626
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide
CID 115739469
2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide
CID 115739557
2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylbutanoic acid
CID 79798385
2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide
CID 103812762
2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide
CID 119810816
2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
2-(aminomethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66380048
2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 66377228
2-(aminomethyl)-N-(2-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 66376858

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide (CID 103307161) is 2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide is CCS(=O)(=O)NC(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide?
The InChIKey is ZZSLUQJXVYZLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S2/c1-2-15(12,13)10-7(11)5-4-14-6(3-8)9-5/h4H,2-3,8H2,1H3,(H,10,11).
What are the key properties of 2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide has a molecular weight of 249.32 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103307161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).