4-[[4-amino-5-(1,5-dimethylimidazole-4-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

C15H16N6O3S2 — CID 18521876

IUPAC4-[[4-amino-5-(1,5-dimethylimidazole-4-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESCc1c(C(=O)c2sc(Nc3ccc(S(N)(=O)=O)cc3)nc2N)ncn1C
InChIInChI=1S/C15H16N6O3S2/c1-8-11(18-7-21(8)2)12(22)13-14(16)20-15(25-13)19-9-3-5-10(6-4-9)26(17,23)24/h3-7H,16H2,1-2H3,(H,19,20)(H2,17,23,24)
InChIKeySBZJLJGNBZHGIU-UHFFFAOYSA-N
MW392.47 g/mol
LogP1.39
Rot. Bonds5

About 4-[[4-amino-5-(1,5-dimethylimidazole-4-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

4-[[4-amino-5-(1,5-dimethylimidazole-4-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 18521876) has the molecular formula C15H16N6O3S2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 4-[[4-amino-5-(1,5-dimethylimidazole-4-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-amino-5-(1,5-dimethylimidazole-4-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID18521876
Molecular FormulaC15H16N6O3S2
Molecular Weight392.47 g/mol
Exact Mass392.07
IUPAC Name4-[[4-amino-5-(1,5-dimethylimidazole-4-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESCc1c(C(=O)c2sc(Nc3ccc(S(N)(=O)=O)cc3)nc2N)ncn1C
InChIInChI=1S/C15H16N6O3S2/c1-8-11(18-7-21(8)2)12(22)13-14(16)20-15(25-13)19-9-3-5-10(6-4-9)26(17,23)24/h3-7H,16H2,1-2H3,(H,19,20)(H2,17,23,24)
InChIKeySBZJLJGNBZHGIU-UHFFFAOYSA-N
XLogP1.39
TPSA145.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[[4-amino-5-(1,5-dimethylimidazole-4-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide with MolForge

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Related Compounds

[4-amino-2-(4-morpholin-4-ylanilino)-1,3-thiazol-5-yl]-(1,5-dimethylimidazol-4-yl)methanone
CID 18521922
4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 141008632
4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 10001591
4-[[4-amino-5-(3-methylthiophene-2-carbonyl)-1,3-thiazol-2-yl]amino]-N-methylbenzenesulfonamide
CID 18521946
4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide
CID 14700316
[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 1484799
[4-amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-(2,5-dimethylphenyl)methanone
CID 46285574
4-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide
CID 79126584
ethyl 4-[[4-amino-5-(4-bromobenzoyl)-1,3-thiazol-2-yl]amino]benzoate
CID 50761349
1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone
CID 4778814
[4-amino-2-(4-bromoanilino)-1,3-thiazol-5-yl]-(3-bromophenyl)methanone
CID 46285835
ethyl 2-[4-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]phenoxy]acetate
CID 166792816

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-5-(1,5-dimethylimidazole-4-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-amino-5-(1,5-dimethylimidazole-4-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 18521876) is 4-[[4-amino-5-(1,5-dimethylimidazole-4-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-amino-5-(1,5-dimethylimidazole-4-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-amino-5-(1,5-dimethylimidazole-4-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is Cc1c(C(=O)c2sc(Nc3ccc(S(N)(=O)=O)cc3)nc2N)ncn1C.
What is the InChIKey of 4-[[4-amino-5-(1,5-dimethylimidazole-4-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is SBZJLJGNBZHGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3S2/c1-8-11(18-7-21(8)2)12(22)13-14(16)20-15(25-13)19-9-3-5-10(6-4-9)26(17,23)24/h3-7H,16H2,1-2H3,(H,19,20)(H2,17,23,24).
What are the key properties of 4-[[4-amino-5-(1,5-dimethylimidazole-4-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
4-[[4-amino-5-(1,5-dimethylimidazole-4-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 392.47 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-5-(1,5-dimethylimidazole-4-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 18521876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).