3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N,N-dimethyl-5-phenylbenzamide

C19H19N3O3S2 — CID 130358346

IUPAC3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N,N-dimethyl-5-phenylbenzamide
SMILESCN(C)C(=O)c1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1
InChIInChI=1S/C19H19N3O3S2/c1-22(2)19(23)15-8-14(13-6-4-3-5-7-13)9-16(10-15)27(24,25)18-12-21-17(11-20)26-18/h3-10,12H,11,20H2,1-2H3
InChIKeyDLDHQUYJALROQX-UHFFFAOYSA-N
MW401.51 g/mol
LogP2.80
Rot. Bonds5

About 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N,N-dimethyl-5-phenylbenzamide

3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N,N-dimethyl-5-phenylbenzamide (PubChem CID 130358346) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N,N-dimethyl-5-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N,N-dimethyl-5-phenylbenzamide
PubChem CID130358346
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N,N-dimethyl-5-phenylbenzamide
SMILESCN(C)C(=O)c1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1
InChIInChI=1S/C19H19N3O3S2/c1-22(2)19(23)15-8-14(13-6-4-3-5-7-13)9-16(10-15)27(24,25)18-12-21-17(11-20)26-18/h3-10,12H,11,20H2,1-2H3
InChIKeyDLDHQUYJALROQX-UHFFFAOYSA-N
XLogP2.80
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N,N-dimethyl-5-phenylbenzamide?
The IUPAC name of 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N,N-dimethyl-5-phenylbenzamide (CID 130358346) is 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N,N-dimethyl-5-phenylbenzamide.
What is the SMILES notation for 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N,N-dimethyl-5-phenylbenzamide?
The canonical SMILES for 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N,N-dimethyl-5-phenylbenzamide is CN(C)C(=O)c1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1.
What is the InChIKey of 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N,N-dimethyl-5-phenylbenzamide?
The InChIKey is DLDHQUYJALROQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-22(2)19(23)15-8-14(13-6-4-3-5-7-13)9-16(10-15)27(24,25)18-12-21-17(11-20)26-18/h3-10,12H,11,20H2,1-2H3.
What are the key properties of 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N,N-dimethyl-5-phenylbenzamide?
3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N,N-dimethyl-5-phenylbenzamide has a molecular weight of 401.51 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N,N-dimethyl-5-phenylbenzamide is sourced from PubChem (CID 130358346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).