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

C16H20N2O2S2 — CID 95296656

IUPACN-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(R)-methylsulfinyl]methyl]benzamide
SMILESCc1nc(C)c([C@H](C)NC(=O)c2cccc(C[S@@](C)=O)c2)s1
InChIInChI=1S/C16H20N2O2S2/c1-10-15(21-12(3)17-10)11(2)18-16(19)14-7-5-6-13(8-14)9-22(4)20/h5-8,11H,9H2,1-4H3,(H,18,19)/t11-,22+/m0/s1
InChIKeyGHVWTZKSGZDYCC-KPWVOAKYSA-N
MW336.48 g/mol
LogP3.13
Rot. Bonds5

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

N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(R)-methylsulfinyl]methyl]benzamide (PubChem CID 95296656) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(R)-methylsulfinyl]methyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(R)-methylsulfinyl]methyl]benzamide
PubChem CID95296656
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(R)-methylsulfinyl]methyl]benzamide
SMILESCc1nc(C)c([C@H](C)NC(=O)c2cccc(C[S@@](C)=O)c2)s1
InChIInChI=1S/C16H20N2O2S2/c1-10-15(21-12(3)17-10)11(2)18-16(19)14-7-5-6-13(8-14)9-22(4)20/h5-8,11H,9H2,1-4H3,(H,18,19)/t11-,22+/m0/s1
InChIKeyGHVWTZKSGZDYCC-KPWVOAKYSA-N
XLogP3.13
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(R)-methylsulfinyl]methyl]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

N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51966657
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 47067601
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-dihydroxybenzamide
CID 104938902
4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 61192187
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide
CID 61193208
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]furan-2-carboxamide
CID 47317372
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluorobenzamide
CID 47317355
3-amino-4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 61192619
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 61149421
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(methylamino)benzamide
CID 62174107
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998657
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 51094948

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(R)-methylsulfinyl]methyl]benzamide?
The IUPAC name of N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(R)-methylsulfinyl]methyl]benzamide (CID 95296656) is N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(R)-methylsulfinyl]methyl]benzamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(R)-methylsulfinyl]methyl]benzamide?
The canonical SMILES for N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(R)-methylsulfinyl]methyl]benzamide is Cc1nc(C)c([C@H](C)NC(=O)c2cccc(C[S@@](C)=O)c2)s1.
What is the InChIKey of N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(R)-methylsulfinyl]methyl]benzamide?
The InChIKey is GHVWTZKSGZDYCC-KPWVOAKYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-10-15(21-12(3)17-10)11(2)18-16(19)14-7-5-6-13(8-14)9-22(4)20/h5-8,11H,9H2,1-4H3,(H,18,19)/t11-,22+/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(R)-methylsulfinyl]methyl]benzamide?
N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(R)-methylsulfinyl]methyl]benzamide has a molecular weight of 336.48 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(R)-methylsulfinyl]methyl]benzamide is sourced from PubChem (CID 95296656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).