N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]benzamide

C12H13N3OS — CID 71695386

IUPACN-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
SMILESNCc1csc(CNC(=O)c2ccccc2)n1
InChIInChI=1S/C12H13N3OS/c13-6-10-8-17-11(15-10)7-14-12(16)9-4-2-1-3-5-9/h1-5,8H,6-7,13H2,(H,14,16)
InChIKeyGNNNUYNKBXYROZ-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.53
Rot. Bonds4

About N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]benzamide

N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]benzamide (PubChem CID 71695386) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
PubChem CID71695386
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
SMILESNCc1csc(CNC(=O)c2ccccc2)n1
InChIInChI=1S/C12H13N3OS/c13-6-10-8-17-11(15-10)7-14-12(16)9-4-2-1-3-5-9/h1-5,8H,6-7,13H2,(H,14,16)
InChIKeyGNNNUYNKBXYROZ-UHFFFAOYSA-N
XLogP1.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The IUPAC name of N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]benzamide (CID 71695386) is N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]benzamide is NCc1csc(CNC(=O)c2ccccc2)n1.
What is the InChIKey of N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The InChIKey is GNNNUYNKBXYROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-6-10-8-17-11(15-10)7-14-12(16)9-4-2-1-3-5-9/h1-5,8H,6-7,13H2,(H,14,16).
What are the key properties of N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]benzamide?
N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]benzamide has a molecular weight of 247.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 71695386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).