N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide

C12H20N2O2S3 — CID 103801278

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESCSC(CO)C(C)NC(=O)CSCc1csc(C)n1
InChIInChI=1S/C12H20N2O2S3/c1-8(11(4-15)17-3)13-12(16)7-18-5-10-6-19-9(2)14-10/h6,8,11,15H,4-5,7H2,1-3H3,(H,13,16)
InChIKeyPMHWFOFHFKWPLZ-UHFFFAOYSA-N
MW320.51 g/mol
LogP1.91
Rot. Bonds8

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (PubChem CID 103801278) has the molecular formula C12H20N2O2S3 and a molecular weight of 320.51 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
PubChem CID103801278
Molecular FormulaC12H20N2O2S3
Molecular Weight320.51 g/mol
Exact Mass320.07
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESCSC(CO)C(C)NC(=O)CSCc1csc(C)n1
InChIInChI=1S/C12H20N2O2S3/c1-8(11(4-15)17-3)13-12(16)7-18-5-10-6-19-9(2)14-10/h6,8,11,15H,4-5,7H2,1-3H3,(H,13,16)
InChIKeyPMHWFOFHFKWPLZ-UHFFFAOYSA-N
XLogP1.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide with MolForge

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Related Compounds

3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 39632677
N-(3-ethoxypropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 56811625
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 16276934
2-(cyanomethylsulfanyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 45817573
1-(3-Hydroxypropyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71933679
2-[2-hydroxyethyl(methyl)amino]-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 99940736
N-(3-ethoxypropyl)-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide
CID 121557499
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726357
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103755796
N-(3,3-difluoro-2-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 103769889
N-(3,3-difluoro-2-hydroxypropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 103769904
N-(2,2-difluoro-3-hydroxypropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 104857649

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (CID 103801278) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is CSC(CO)C(C)NC(=O)CSCc1csc(C)n1.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is PMHWFOFHFKWPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S3/c1-8(11(4-15)17-3)13-12(16)7-18-5-10-6-19-9(2)14-10/h6,8,11,15H,4-5,7H2,1-3H3,(H,13,16).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 320.51 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 103801278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).