4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

C14H19N3O2S2 — CID 61480734

IUPAC4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2nc(C(C)C)cs2)cc1
InChIInChI=1S/C14H19N3O2S2/c1-10(2)13-9-20-14(16-13)17-21(18,19)12-6-4-11(5-7-12)8-15-3/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyVEPWEJWCRATURK-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.79
Rot. Bonds6

About 4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 61480734) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID61480734
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2nc(C(C)C)cs2)cc1
InChIInChI=1S/C14H19N3O2S2/c1-10(2)13-9-20-14(16-13)17-21(18,19)12-6-4-11(5-7-12)8-15-3/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyVEPWEJWCRATURK-UHFFFAOYSA-N
XLogP2.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (CID 61480734) is 4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)Nc2nc(C(C)C)cs2)cc1.
What is the InChIKey of 4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is VEPWEJWCRATURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-10(2)13-9-20-14(16-13)17-21(18,19)12-6-4-11(5-7-12)8-15-3/h4-7,9-10,15H,8H2,1-3H3,(H,16,17).
What are the key properties of 4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 61480734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).