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

C24H21N3OS3 — CID 134041922

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
SMILESCc1csc(SCc2ccccc2C(=O)Nc2ccc(SCc3cccnc3)cc2)n1
InChIInChI=1S/C24H21N3OS3/c1-17-14-30-24(26-17)31-16-19-6-2-3-7-22(19)23(28)27-20-8-10-21(11-9-20)29-15-18-5-4-12-25-13-18/h2-14H,15-16H2,1H3,(H,27,28)
InChIKeySODORSZCTVDEFB-UHFFFAOYSA-N
MW463.65 g/mol
LogP6.68
Rot. Bonds8

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

2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide (PubChem CID 134041922) has the molecular formula C24H21N3OS3 and a molecular weight of 463.65 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
PubChem CID134041922
Molecular FormulaC24H21N3OS3
Molecular Weight463.65 g/mol
Exact Mass463.08
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
SMILESCc1csc(SCc2ccccc2C(=O)Nc2ccc(SCc3cccnc3)cc2)n1
InChIInChI=1S/C24H21N3OS3/c1-17-14-30-24(26-17)31-16-19-6-2-3-7-22(19)23(28)27-20-8-10-21(11-9-20)29-15-18-5-4-12-25-13-18/h2-14H,15-16H2,1H3,(H,27,28)
InChIKeySODORSZCTVDEFB-UHFFFAOYSA-N
XLogP6.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.65
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 26362259
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 36542663
4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide
CID 27711486
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 34425101
5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide
CID 24644970
5,7-dimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39985596
5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1-benzofuran-2-carboxamide
CID 55929053
(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 78973407
2-pyridin-3-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoline-4-carboxamide
CID 46668985
2-hydroxy-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
CID 42054101
4-(5-methylpyrazol-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
CID 46669066
(2S)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 79024068

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide (CID 134041922) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide is Cc1csc(SCc2ccccc2C(=O)Nc2ccc(SCc3cccnc3)cc2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide?
The InChIKey is SODORSZCTVDEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS3/c1-17-14-30-24(26-17)31-16-19-6-2-3-7-22(19)23(28)27-20-8-10-21(11-9-20)29-15-18-5-4-12-25-13-18/h2-14H,15-16H2,1H3,(H,27,28).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide has a molecular weight of 463.65 g/mol, XLogP of 6.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 134041922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).