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

C9H17N5O3S2 — CID 106343612

IUPAC4-amino-2-(dimethylamino)-N-[2-(methylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C9H17N5O3S2/c1-11-19(16,17)5-4-12-8(15)6-7(10)13-9(18-6)14(2)3/h11H,4-5,10H2,1-3H3,(H,12,15)
InChIKeyHYAVGQMTWWBKDR-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.93
Rot. Bonds6

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

4-amino-2-(dimethylamino)-N-[2-(methylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 106343612) has the molecular formula C9H17N5O3S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-[2-(methylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-[2-(methylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID106343612
Molecular FormulaC9H17N5O3S2
Molecular Weight307.40 g/mol
Exact Mass307.08
IUPAC Name4-amino-2-(dimethylamino)-N-[2-(methylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C9H17N5O3S2/c1-11-19(16,17)5-4-12-8(15)6-7(10)13-9(18-6)14(2)3/h11H,4-5,10H2,1-3H3,(H,12,15)
InChIKeyHYAVGQMTWWBKDR-UHFFFAOYSA-N
XLogP-0.93
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672314
4-amino-2-(dimethylamino)-N-[3-(2-methylpropylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide
CID 116672545
4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116666526
4-amino-2-(dimethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide
CID 116664873
2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672210
4-amino-2-(dimethylamino)-N-(6-hydroxyhexyl)-1,3-thiazole-5-carboxamide
CID 107855741
4-amino-2-(dimethylamino)-N-(2-ethoxyethyl)-1,3-thiazole-5-carboxamide
CID 116670447
4-amino-N-(2-cyclopropylethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116667320
4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 106327698
4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672594
4-amino-2-[methyl(propyl)amino]-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide
CID 116664858
4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116668777

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-[2-(methylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-[2-(methylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide (CID 106343612) is 4-amino-2-(dimethylamino)-N-[2-(methylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-[2-(methylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-[2-(methylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide is CNS(=O)(=O)CCNC(=O)c1sc(N(C)C)nc1N.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-[2-(methylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is HYAVGQMTWWBKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S2/c1-11-19(16,17)5-4-12-8(15)6-7(10)13-9(18-6)14(2)3/h11H,4-5,10H2,1-3H3,(H,12,15).
What are the key properties of 4-amino-2-(dimethylamino)-N-[2-(methylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-[2-(methylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 307.40 g/mol, XLogP of -0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N-[2-(methylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106343612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).