2-amino-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-5-chlorobenzenesulfonamide

C15H20ClN3O2S2 — CID 3013806

IUPAC2-amino-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-5-chlorobenzenesulfonamide
SMILESCc1c(C(C)(C)C)sc(=NS(=O)(=O)c2cc(Cl)ccc2N)n1C
InChIInChI=1S/C15H20ClN3O2S2/c1-9-13(15(2,3)4)22-14(19(9)5)18-23(20,21)12-8-10(16)6-7-11(12)17/h6-8H,17H2,1-5H3
InChIKeyZDGXKLKXFQIKGA-UHFFFAOYSA-N
MW373.93 g/mol
LogP3.22
Rot. Bonds2

About 2-amino-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-5-chlorobenzenesulfonamide

2-amino-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-5-chlorobenzenesulfonamide (PubChem CID 3013806) has the molecular formula C15H20ClN3O2S2 and a molecular weight of 373.93 g/mol. Its IUPAC name is 2-amino-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-5-chlorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-5-chlorobenzenesulfonamide
PubChem CID3013806
Molecular FormulaC15H20ClN3O2S2
Molecular Weight373.93 g/mol
Exact Mass373.07
IUPAC Name2-amino-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-5-chlorobenzenesulfonamide
SMILESCc1c(C(C)(C)C)sc(=NS(=O)(=O)c2cc(Cl)ccc2N)n1C
InChIInChI=1S/C15H20ClN3O2S2/c1-9-13(15(2,3)4)22-14(19(9)5)18-23(20,21)12-8-10(16)6-7-11(12)17/h6-8H,17H2,1-5H3
InChIKeyZDGXKLKXFQIKGA-UHFFFAOYSA-N
XLogP3.22
TPSA77.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-5-chlorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-5-chlorobenzenesulfonamide (CID 3013806) is 2-amino-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-5-chlorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-5-chlorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-5-chlorobenzenesulfonamide is Cc1c(C(C)(C)C)sc(=NS(=O)(=O)c2cc(Cl)ccc2N)n1C.
What is the InChIKey of 2-amino-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-5-chlorobenzenesulfonamide?
The InChIKey is ZDGXKLKXFQIKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S2/c1-9-13(15(2,3)4)22-14(19(9)5)18-23(20,21)12-8-10(16)6-7-11(12)17/h6-8H,17H2,1-5H3.
What are the key properties of 2-amino-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-5-chlorobenzenesulfonamide?
2-amino-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-5-chlorobenzenesulfonamide has a molecular weight of 373.93 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-5-chlorobenzenesulfonamide is sourced from PubChem (CID 3013806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).