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

C10H11N5O3S2 — CID 66553072

IUPAC4-amino-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(Nc2ccc(S(N)(=O)=O)cc2)nc1N
InChIInChI=1S/C10H11N5O3S2/c11-8-7(9(12)16)19-10(15-8)14-5-1-3-6(4-2-5)20(13,17)18/h1-4H,11H2,(H2,12,16)(H,14,15)(H2,13,17,18)
InChIKeyNYEMVPGQXLAKEH-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.22
Rot. Bonds4

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

4-amino-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide (PubChem CID 66553072) has the molecular formula C10H11N5O3S2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-amino-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide
PubChem CID66553072
Molecular FormulaC10H11N5O3S2
Molecular Weight313.36 g/mol
Exact Mass313.03
IUPAC Name4-amino-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(Nc2ccc(S(N)(=O)=O)cc2)nc1N
InChIInChI=1S/C10H11N5O3S2/c11-8-7(9(12)16)19-10(15-8)14-5-1-3-6(4-2-5)20(13,17)18/h1-4H,11H2,(H2,12,16)(H,14,15)(H2,13,17,18)
InChIKeyNYEMVPGQXLAKEH-UHFFFAOYSA-N
XLogP0.22
TPSA154.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-Amino-2-(Phenylamino)-1,3-Thiazole-5-Carboxamide
CID 13349420
4-Amino-N-(3-Fluorophenyl)-2-[(4-Sulfamoylphenyl)amino]-1,3-Thiazole-5-Carboxamide
CID 66553057
4-Amino-N-(2,6-Difluorophenyl)-2-[(4-Sulfamoylphenyl)amino]-1,3-Thiazole-5-Carboxamide
CID 66553058
4-Amino-N-(3,5-Difluorophenyl)-2-[(4-Sulfamoylphenyl)amino]-1,3-Thiazole-5-Carboxamide
CID 66553060
4-methyl-N-phenyl-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide
CID 1973868
N-{4'-methyl-2-[(4-sulfamoylphenyl)amino]-4,5'-bi-1,3-thiazol-2'-yl}propanamide
CID 2226096
N-(2'-[4-(aminosulfonyl)anilino]-4-methyl-4',5-bis(1,3-thiazole)-2-yl)acetamide
CID 1594520
4-[[4-Amino-5-(cyclohexanecarbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 71662567
1-(4-Amino-2-(phenylamino)thiazol-5-yl)ethanone
CID 667746
4-[[4-amino-5-[(E)-3-(dimethylamino)prop-2-enoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 71662940
4-methyl-N-phenyl-2-[(phenylsulfonyl)amino]-1,3-thiazole-5-carboxamide
CID 1132235
3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 4879582

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide (CID 66553072) is 4-amino-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide is NC(=O)c1sc(Nc2ccc(S(N)(=O)=O)cc2)nc1N.
What is the InChIKey of 4-amino-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide?
The InChIKey is NYEMVPGQXLAKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S2/c11-8-7(9(12)16)19-10(15-8)14-5-1-3-6(4-2-5)20(13,17)18/h1-4H,11H2,(H2,12,16)(H,14,15)(H2,13,17,18).
What are the key properties of 4-amino-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide?
4-amino-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 0.22, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 66553072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).