5-amino-N,2,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

C14H19N3O2S2 — CID 63842918

IUPAC5-amino-N,2,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)N(C)Cc2scnc2C)c1C
InChIInChI=1S/C14H19N3O2S2/c1-9-5-12(15)6-14(10(9)2)21(18,19)17(4)7-13-11(3)16-8-20-13/h5-6,8H,7,15H2,1-4H3
InChIKeyNKDUEXPYRZGILV-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.47
Rot. Bonds4

About 5-amino-N,2,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

5-amino-N,2,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 63842918) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-amino-N,2,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N,2,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
PubChem CID63842918
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name5-amino-N,2,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)N(C)Cc2scnc2C)c1C
InChIInChI=1S/C14H19N3O2S2/c1-9-5-12(15)6-14(10(9)2)21(18,19)17(4)7-13-11(3)16-8-20-13/h5-6,8H,7,15H2,1-4H3
InChIKeyNKDUEXPYRZGILV-UHFFFAOYSA-N
XLogP2.47
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63841886
5-amino-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63843262
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 55262102
2-amino-N,3,6-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 103171520
5-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
CID 113383229
3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63843263
2-amino-4,6-dibromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63843936
3-amino-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63842225
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide
CID 103306091
4-hydrazinyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63837844
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide
CID 63822516
5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271659

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,2,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-N,2,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (CID 63842918) is 5-amino-N,2,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-N,2,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-N,2,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)N(C)Cc2scnc2C)c1C.
What is the InChIKey of 5-amino-N,2,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is NKDUEXPYRZGILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-9-5-12(15)6-14(10(9)2)21(18,19)17(4)7-13-11(3)16-8-20-13/h5-6,8H,7,15H2,1-4H3.
What are the key properties of 5-amino-N,2,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
5-amino-N,2,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,2,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 63842918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).