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

C16H15N3OS3 — CID 26362259

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
SMILESCc1csc(NC(=O)c2ccccc2CSc2nc(C)cs2)n1
InChIInChI=1S/C16H15N3OS3/c1-10-7-21-15(17-10)19-14(20)13-6-4-3-5-12(13)9-23-16-18-11(2)8-22-16/h3-8H,9H2,1-2H3,(H,17,19,20)
InChIKeyRCGYZDYNFKYHRT-UHFFFAOYSA-N
MW361.52 g/mol
LogP4.76
Rot. Bonds5

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

N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide (PubChem CID 26362259) has the molecular formula C16H15N3OS3 and a molecular weight of 361.52 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
PubChem CID26362259
Molecular FormulaC16H15N3OS3
Molecular Weight361.52 g/mol
Exact Mass361.04
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
SMILESCc1csc(NC(=O)c2ccccc2CSc2nc(C)cs2)n1
InChIInChI=1S/C16H15N3OS3/c1-10-7-21-15(17-10)19-14(20)13-6-4-3-5-12(13)9-23-16-18-11(2)8-22-16/h3-8H,9H2,1-2H3,(H,17,19,20)
InChIKeyRCGYZDYNFKYHRT-UHFFFAOYSA-N
XLogP4.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide with MolForge

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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
CID 134041922
2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 884818
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 30698035
2-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110463533
(1-amino-1-oxopropan-2-yl) 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate
CID 18080436
[2-(tert-butylamino)-2-oxoethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate
CID 7362116
2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601339
N-[3-(1H-benzimidazol-2-yl)propyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 36806971
N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 902953
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate
CID 7679041
2-(4-methoxyphenoxy)ethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate
CID 7362088
(2,5-dimethylphenyl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate
CID 7362164

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide (CID 26362259) is N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide is Cc1csc(NC(=O)c2ccccc2CSc2nc(C)cs2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The InChIKey is RCGYZDYNFKYHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS3/c1-10-7-21-15(17-10)19-14(20)13-6-4-3-5-12(13)9-23-16-18-11(2)8-22-16/h3-8H,9H2,1-2H3,(H,17,19,20).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide has a molecular weight of 361.52 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 26362259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).