N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide

C20H20N2O2S2 — CID 38162185

IUPACN-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide
SMILESCc1ccc(Cn2ccs/c2=N/C(=O)c2cccc(C[S@@](C)=O)c2)cc1
InChIInChI=1S/C20H20N2O2S2/c1-15-6-8-16(9-7-15)13-22-10-11-25-20(22)21-19(23)18-5-3-4-17(12-18)14-26(2)24/h3-12H,13-14H2,1-2H3/b21-20+/t26-/m1/s1
InChIKeyMSRFWRWAOGJMFH-QEBGPUIJSA-N
MW384.53 g/mol
LogP3.53
Rot. Bonds5

About N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide

N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide (PubChem CID 38162185) has the molecular formula C20H20N2O2S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide.

Molecular Properties

Compound NameN-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide
PubChem CID38162185
Molecular FormulaC20H20N2O2S2
Molecular Weight384.53 g/mol
Exact Mass384.10
IUPAC NameN-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide
SMILESCc1ccc(Cn2ccs/c2=N/C(=O)c2cccc(C[S@@](C)=O)c2)cc1
InChIInChI=1S/C20H20N2O2S2/c1-15-6-8-16(9-7-15)13-22-10-11-25-20(22)21-19(23)18-5-3-4-17(12-18)14-26(2)24/h3-12H,13-14H2,1-2H3/b21-20+/t26-/m1/s1
InChIKeyMSRFWRWAOGJMFH-QEBGPUIJSA-N
XLogP3.53
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
CID 7930627
3-methyl-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-(tetrazol-1-yl)benzamide
CID 51114115
3-chloro-N-[3-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 46137185
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
CID 16546204
2,4-difluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
CID 7930653
4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 93306639
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-oxo-3H-phthalazine-1-carboxamide
CID 24653558
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 18288477
N-(3-benzyl-1,3-thiazol-2-ylidene)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18285459
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(2-oxo-1-pyridinyl)acetamide
CID 24660441
N-[2-[[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]-3-nitrobenzamide
CID 24660448
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 154858750

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide?
The IUPAC name of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide (CID 38162185) is N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide.
What is the SMILES notation for N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide?
The canonical SMILES for N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide is Cc1ccc(Cn2ccs/c2=N/C(=O)c2cccc(C[S@@](C)=O)c2)cc1.
What is the InChIKey of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide?
The InChIKey is MSRFWRWAOGJMFH-QEBGPUIJSA-N. The full InChI is InChI=1S/C20H20N2O2S2/c1-15-6-8-16(9-7-15)13-22-10-11-25-20(22)21-19(23)18-5-3-4-17(12-18)14-26(2)24/h3-12H,13-14H2,1-2H3/b21-20+/t26-/m1/s1.
What are the key properties of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide?
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide has a molecular weight of 384.53 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide is sourced from PubChem (CID 38162185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).