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

C14H17N3OS — CID 106045206

IUPAC2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]benzamide
SMILESCc1nc(CCNCc2ccccc2C(N)=O)cs1
InChIInChI=1S/C14H17N3OS/c1-10-17-12(9-19-10)6-7-16-8-11-4-2-3-5-13(11)14(15)18/h2-5,9,16H,6-8H2,1H3,(H2,15,18)
InChIKeyGBKLYONGOCCIQZ-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.88
Rot. Bonds6

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

2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]benzamide (PubChem CID 106045206) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]benzamide
PubChem CID106045206
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]benzamide
SMILESCc1nc(CCNCc2ccccc2C(N)=O)cs1
InChIInChI=1S/C14H17N3OS/c1-10-17-12(9-19-10)6-7-16-8-11-4-2-3-5-13(11)14(15)18/h2-5,9,16H,6-8H2,1H3,(H2,15,18)
InChIKeyGBKLYONGOCCIQZ-UHFFFAOYSA-N
XLogP1.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]benzoic acid
CID 106036131
N-[(2-chlorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 113222746
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 103932658
2-amino-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
CID 114139616
N-[(2-cyclopropylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103739282
N-[(2-bromo-3-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 114140284
1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119841419
[4-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 106044942
4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485633
N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 71855479
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]benzamide?
The IUPAC name of 2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]benzamide (CID 106045206) is 2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]benzamide.
What is the SMILES notation for 2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]benzamide?
The canonical SMILES for 2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]benzamide is Cc1nc(CCNCc2ccccc2C(N)=O)cs1.
What is the InChIKey of 2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]benzamide?
The InChIKey is GBKLYONGOCCIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-17-12(9-19-10)6-7-16-8-11-4-2-3-5-13(11)14(15)18/h2-5,9,16H,6-8H2,1H3,(H2,15,18).
What are the key properties of 2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]benzamide?
2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]benzamide has a molecular weight of 275.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]benzamide is sourced from PubChem (CID 106045206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).