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

C14H16N2OS2 — CID 47140365

IUPACN-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
SMILESCCNC(=O)c1ccccc1SCc1csc(C)n1
InChIInChI=1S/C14H16N2OS2/c1-3-15-14(17)12-6-4-5-7-13(12)19-9-11-8-18-10(2)16-11/h4-8H,3,9H2,1-2H3,(H,15,17)
InChIKeyXPCAMLACVNFQQT-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.49
Rot. Bonds5

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

N-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide (PubChem CID 47140365) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
PubChem CID47140365
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC NameN-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
SMILESCCNC(=O)c1ccccc1SCc1csc(C)n1
InChIInChI=1S/C14H16N2OS2/c1-3-15-14(17)12-6-4-5-7-13(12)19-9-11-8-18-10(2)16-11/h4-8H,3,9H2,1-2H3,(H,15,17)
InChIKeyXPCAMLACVNFQQT-UHFFFAOYSA-N
XLogP3.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
CID 119639859
N-[2-(methylamino)propyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 120826597
5-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]amino]pentanoic acid
CID 119234181
2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]amino]ethylsulfanyl]acetic acid
CID 119241424
N-(1-hydroxypropan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 78857346
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 31309321
N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 42030584
N-(6-methylheptan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 55506970
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-phenylbutan-2-yl)benzamide
CID 51326786
methyl N-[4-[[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]amino]methyl]phenyl]carbamate
CID 55964799
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(oxolan-2-ylmethyl)benzamide
CID 51339938
N-(1-aminohexan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
CID 119665034

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The IUPAC name of N-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide (CID 47140365) is N-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide is CCNC(=O)c1ccccc1SCc1csc(C)n1.
What is the InChIKey of N-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The InChIKey is XPCAMLACVNFQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-3-15-14(17)12-6-4-5-7-13(12)19-9-11-8-18-10(2)16-11/h4-8H,3,9H2,1-2H3,(H,15,17).
What are the key properties of N-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
N-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide has a molecular weight of 292.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 47140365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).