N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide

C13H14N2OS — CID 110739296

IUPACN-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1cnc(CCNC(=O)c2ccccc2)s1
InChIInChI=1S/C13H14N2OS/c1-10-9-15-12(17-10)7-8-14-13(16)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16)
InChIKeyOGHXJNVOQRGQOU-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.42
Rot. Bonds4

About N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide

N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 110739296) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID110739296
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1cnc(CCNC(=O)c2ccccc2)s1
InChIInChI=1S/C13H14N2OS/c1-10-9-15-12(17-10)7-8-14-13(16)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16)
InChIKeyOGHXJNVOQRGQOU-UHFFFAOYSA-N
XLogP2.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110746469
2-(2-methylphenyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110739358
3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110739313
2-(5-methyl-1,3-thiazol-2-yl)ethylurea
CID 130652199
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 97008326
N-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide
CID 39768880
4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 110738921
1-[2-(4-hydroxyphenyl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71868421
1-N-methyl-3-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670537
2-(3-methoxyphenyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110739366
N-(2-ethyl-1,3-thiazol-5-yl)benzamide
CID 172694474
1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 91649459

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 110739296) is N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide is Cc1cnc(CCNC(=O)c2ccccc2)s1.
What is the InChIKey of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is OGHXJNVOQRGQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-10-9-15-12(17-10)7-8-14-13(16)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16).
What are the key properties of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 246.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110739296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).