N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide

C13H16N2OS2 — CID 47299837

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide
SMILESCCSCc1ccc(C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C13H16N2OS2/c1-2-17-9-10-3-5-11(6-4-10)12(16)15-13-14-7-8-18-13/h3-6H,2,7-9H2,1H3,(H,14,15,16)
InChIKeyUFSMHXFYARFRQJ-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.77
Rot. Bonds4

About N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide (PubChem CID 47299837) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide
PubChem CID47299837
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide
SMILESCCSCc1ccc(C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C13H16N2OS2/c1-2-17-9-10-3-5-11(6-4-10)12(16)15-13-14-7-8-18-13/h3-6H,2,7-9H2,1H3,(H,14,15,16)
InChIKeyUFSMHXFYARFRQJ-UHFFFAOYSA-N
XLogP2.77
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
CID 51106672
4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(2,6-dimethylphenyl)benzamide
CID 39368866
N-(4,5-dihydro-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 2110722
4-(difluoromethylsulfanyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 51326128
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 163201371
3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide
CID 960169
4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoic acid
CID 12834411
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)benzamide
CID 51240513
N-(5,6-dihydro-4H-1,3-thiazin-2-yl)benzamide
CID 102046322
2-[4-[[4-(ethylsulfanylmethyl)benzoyl]amino]phenyl]-2-methylpropanoic acid
CID 119253809
3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 7534964

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide (CID 47299837) is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide is CCSCc1ccc(C(=O)NC2=NCCS2)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide?
The InChIKey is UFSMHXFYARFRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-2-17-9-10-3-5-11(6-4-10)12(16)15-13-14-7-8-18-13/h3-6H,2,7-9H2,1H3,(H,14,15,16).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide has a molecular weight of 280.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide is sourced from PubChem (CID 47299837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).