4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide

C9H17N5O3S2 — CID 106343628

IUPAC4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCCNS(=O)(=O)CCNC(=O)c1sc(NC)nc1N
InChIInChI=1S/C9H17N5O3S2/c1-3-13-19(16,17)5-4-12-8(15)6-7(10)14-9(11-2)18-6/h13H,3-5,10H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyBEZTWPZWOSEVFV-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.56
Rot. Bonds7

About 4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide

4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 106343628) has the molecular formula C9H17N5O3S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID106343628
Molecular FormulaC9H17N5O3S2
Molecular Weight307.40 g/mol
Exact Mass307.08
IUPAC Name4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCCNS(=O)(=O)CCNC(=O)c1sc(NC)nc1N
InChIInChI=1S/C9H17N5O3S2/c1-3-13-19(16,17)5-4-12-8(15)6-7(10)14-9(11-2)18-6/h13H,3-5,10H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyBEZTWPZWOSEVFV-UHFFFAOYSA-N
XLogP-0.56
TPSA126.21 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106343623
4-amino-N-(3-hydroxypropyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116665439
2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 104872462
N-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106342589
4-amino-N-(5-amino-5-oxopentyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106242070
4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116667308
4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 106343636
4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide
CID 102909085
4-amino-2-(dimethylamino)-N-[2-(methylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide
CID 106343612
4-amino-2-(methylamino)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 116663035
4-amino-2-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 116671150
4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide
CID 116666781

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 106343628) is 4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide is CCNS(=O)(=O)CCNC(=O)c1sc(NC)nc1N.
What is the InChIKey of 4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is BEZTWPZWOSEVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S2/c1-3-13-19(16,17)5-4-12-8(15)6-7(10)14-9(11-2)18-6/h13H,3-5,10H2,1-2H3,(H,11,14)(H,12,15).
What are the key properties of 4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 307.40 g/mol, XLogP of -0.56, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106343628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).