N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-[[(R)-methylsulfinyl]methyl]benzamide

C18H18N2O2S3 — CID 97310908

IUPACN-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-[[(R)-methylsulfinyl]methyl]benzamide
SMILESCc1ccc(-c2nc(NC(=O)c3cccc(C[S@@](C)=O)c3)sc2C)s1
InChIInChI=1S/C18H18N2O2S3/c1-11-7-8-15(23-11)16-12(2)24-18(19-16)20-17(21)14-6-4-5-13(9-14)10-25(3)22/h4-9H,10H2,1-3H3,(H,19,20,21)/t25-/m1/s1
InChIKeyXSJKCXGACVAPCX-RUZDIDTESA-N
MW390.56 g/mol
LogP4.62
Rot. Bonds5

About N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-[[(R)-methylsulfinyl]methyl]benzamide

N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-[[(R)-methylsulfinyl]methyl]benzamide (PubChem CID 97310908) has the molecular formula C18H18N2O2S3 and a molecular weight of 390.56 g/mol. Its IUPAC name is N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-[[(R)-methylsulfinyl]methyl]benzamide.

Molecular Properties

Compound NameN-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-[[(R)-methylsulfinyl]methyl]benzamide
PubChem CID97310908
Molecular FormulaC18H18N2O2S3
Molecular Weight390.56 g/mol
Exact Mass390.05
IUPAC NameN-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-[[(R)-methylsulfinyl]methyl]benzamide
SMILESCc1ccc(-c2nc(NC(=O)c3cccc(C[S@@](C)=O)c3)sc2C)s1
InChIInChI=1S/C18H18N2O2S3/c1-11-7-8-15(23-11)16-12(2)24-18(19-16)20-17(21)14-6-4-5-13(9-14)10-25(3)22/h4-9H,10H2,1-3H3,(H,19,20,21)/t25-/m1/s1
InChIKeyXSJKCXGACVAPCX-RUZDIDTESA-N
XLogP4.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.56
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-[[(R)-methylsulfinyl]methyl]benzamide with MolForge

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Related Compounds

N-(4-methyl-1,3-benzothiazol-2-yl)-3-(methylsulfinylmethyl)benzamide
CID 18138513
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-methylbenzamide
CID 37389788
3-(cyanomethyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 78884527
N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 75466942
3-[[(S)-methylsulfinyl]methyl]-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 97027434
3-(methylsulfinylmethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551033
3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide
CID 46511648
N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 3273240
N-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide
CID 134032815
N-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 18146301
N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(R)-methylsulfinyl]methyl]benzamide
CID 95296656
3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86825678

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-[[(R)-methylsulfinyl]methyl]benzamide?
The IUPAC name of N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-[[(R)-methylsulfinyl]methyl]benzamide (CID 97310908) is N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-[[(R)-methylsulfinyl]methyl]benzamide.
What is the SMILES notation for N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-[[(R)-methylsulfinyl]methyl]benzamide?
The canonical SMILES for N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-[[(R)-methylsulfinyl]methyl]benzamide is Cc1ccc(-c2nc(NC(=O)c3cccc(C[S@@](C)=O)c3)sc2C)s1.
What is the InChIKey of N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-[[(R)-methylsulfinyl]methyl]benzamide?
The InChIKey is XSJKCXGACVAPCX-RUZDIDTESA-N. The full InChI is InChI=1S/C18H18N2O2S3/c1-11-7-8-15(23-11)16-12(2)24-18(19-16)20-17(21)14-6-4-5-13(9-14)10-25(3)22/h4-9H,10H2,1-3H3,(H,19,20,21)/t25-/m1/s1.
What are the key properties of N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-[[(R)-methylsulfinyl]methyl]benzamide?
N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-[[(R)-methylsulfinyl]methyl]benzamide has a molecular weight of 390.56 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-[[(R)-methylsulfinyl]methyl]benzamide is sourced from PubChem (CID 97310908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).