3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-(1-methylpyrazol-4-yl)benzamide

C17H19N5O3S2 — CID 130358098

IUPAC3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-(1-methylpyrazol-4-yl)benzamide
SMILESCCNC(=O)c1cc(-c2cnn(C)c2)cc(S(=O)(=O)c2cnc(CN)s2)c1
InChIInChI=1S/C17H19N5O3S2/c1-3-19-17(23)12-4-11(13-8-21-22(2)10-13)5-14(6-12)27(24,25)16-9-20-15(7-18)26-16/h4-6,8-10H,3,7,18H2,1-2H3,(H,19,23)
InChIKeyNYNZCNKBEWSHLG-UHFFFAOYSA-N
MW405.51 g/mol
LogP1.58
Rot. Bonds6

About 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-(1-methylpyrazol-4-yl)benzamide

3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-(1-methylpyrazol-4-yl)benzamide (PubChem CID 130358098) has the molecular formula C17H19N5O3S2 and a molecular weight of 405.51 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-(1-methylpyrazol-4-yl)benzamide
PubChem CID130358098
Molecular FormulaC17H19N5O3S2
Molecular Weight405.51 g/mol
Exact Mass405.09
IUPAC Name3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-(1-methylpyrazol-4-yl)benzamide
SMILESCCNC(=O)c1cc(-c2cnn(C)c2)cc(S(=O)(=O)c2cnc(CN)s2)c1
InChIInChI=1S/C17H19N5O3S2/c1-3-19-17(23)12-4-11(13-8-21-22(2)10-13)5-14(6-12)27(24,25)16-9-20-15(7-18)26-16/h4-6,8-10H,3,7,18H2,1-2H3,(H,19,23)
InChIKeyNYNZCNKBEWSHLG-UHFFFAOYSA-N
XLogP1.58
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-(1-methylpyrazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-(1-methylpyrazol-4-yl)benzamide (CID 130358098) is 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-(1-methylpyrazol-4-yl)benzamide is CCNC(=O)c1cc(-c2cnn(C)c2)cc(S(=O)(=O)c2cnc(CN)s2)c1.
What is the InChIKey of 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is NYNZCNKBEWSHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S2/c1-3-19-17(23)12-4-11(13-8-21-22(2)10-13)5-14(6-12)27(24,25)16-9-20-15(7-18)26-16/h4-6,8-10H,3,7,18H2,1-2H3,(H,19,23).
What are the key properties of 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-(1-methylpyrazol-4-yl)benzamide?
3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 405.51 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-ethyl-5-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 130358098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).