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

C11H21N5O3S2 — CID 106343623

IUPAC4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCCNS(=O)(=O)CCNC(=O)c1sc(NC(C)C)nc1N
InChIInChI=1S/C11H21N5O3S2/c1-4-14-21(18,19)6-5-13-10(17)8-9(12)16-11(20-8)15-7(2)3/h7,14H,4-6,12H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyJETDWMKKZORSTK-UHFFFAOYSA-N
MW335.46 g/mol
LogP0.21
Rot. Bonds8

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

4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 106343623) has the molecular formula C11H21N5O3S2 and a molecular weight of 335.46 g/mol. Its IUPAC name is 4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID106343623
Molecular FormulaC11H21N5O3S2
Molecular Weight335.46 g/mol
Exact Mass335.11
IUPAC Name4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCCNS(=O)(=O)CCNC(=O)c1sc(NC(C)C)nc1N
InChIInChI=1S/C11H21N5O3S2/c1-4-14-21(18,19)6-5-13-10(17)8-9(12)16-11(20-8)15-7(2)3/h7,14H,4-6,12H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyJETDWMKKZORSTK-UHFFFAOYSA-N
XLogP0.21
TPSA126.21 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106343628
4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672310
2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672206
4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106242061
4-amino-N-[3-(diethylamino)propyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116668564
4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116673001
2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 104872462
4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667734
4-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663859
4-amino-N-methyl-N-(2-methylsulfonylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116671321
4-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 114469889
4-amino-2-(propan-2-ylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672284

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 106343623) is 4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CCNS(=O)(=O)CCNC(=O)c1sc(NC(C)C)nc1N.
What is the InChIKey of 4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is JETDWMKKZORSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S2/c1-4-14-21(18,19)6-5-13-10(17)8-9(12)16-11(20-8)15-7(2)3/h7,14H,4-6,12H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 335.46 g/mol, XLogP of 0.21, 8 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-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106343623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).