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

C12H20N2O3S2 — CID 104630238

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESCCC(CO)(CO)NC(=O)CSCc1csc(C)n1
InChIInChI=1S/C12H20N2O3S2/c1-3-12(7-15,8-16)14-11(17)6-18-4-10-5-19-9(2)13-10/h5,15-16H,3-4,6-8H2,1-2H3,(H,14,17)
InChIKeySFOBXQBMIMWNNG-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.93
Rot. Bonds8

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

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (PubChem CID 104630238) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
PubChem CID104630238
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESCCC(CO)(CO)NC(=O)CSCc1csc(C)n1
InChIInChI=1S/C12H20N2O3S2/c1-3-12(7-15,8-16)14-11(17)6-18-4-10-5-19-9(2)13-10/h5,15-16H,3-4,6-8H2,1-2H3,(H,14,17)
InChIKeySFOBXQBMIMWNNG-UHFFFAOYSA-N
XLogP0.93
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide 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-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 86791490
N-tert-butyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 16908983
N-tert-butyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 16908648
N-(2-hydroxy-1,1-dimethylethyl)-4-isopropyl-1,3-thiazole-2-carboxamide
CID 28736462
N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 43393616
N-(2-hydroxyethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 43417455
N-(3-hydroxypropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 43417574
N-(1-hydroxybutan-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 43417881
N-(3-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 43418177
N-(2-hydroxypropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 43418226
N-(1-hydroxybutan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 43418410
N-(2-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 43418533

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (CID 104630238) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is CCC(CO)(CO)NC(=O)CSCc1csc(C)n1.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is SFOBXQBMIMWNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-3-12(7-15,8-16)14-11(17)6-18-4-10-5-19-9(2)13-10/h5,15-16H,3-4,6-8H2,1-2H3,(H,14,17).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 304.44 g/mol, XLogP of 0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 104630238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).