(2S)-2-hydroxy-4-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide

C11H18N2O2S2 — CID 99972824

IUPAC(2S)-2-hydroxy-4-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide
SMILESCSCC[C@H](O)C(=O)NCCc1scnc1C
InChIInChI=1S/C11H18N2O2S2/c1-8-10(17-7-13-8)3-5-12-11(15)9(14)4-6-16-2/h7,9,14H,3-6H2,1-2H3,(H,12,15)/t9-/m0/s1
InChIKeyISTGQGLLORHKNZ-VIFPVBQESA-N
MW274.41 g/mol
LogP1.22
Rot. Bonds7

About (2S)-2-hydroxy-4-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide

(2S)-2-hydroxy-4-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide (PubChem CID 99972824) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide
PubChem CID99972824
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name(2S)-2-hydroxy-4-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide
SMILESCSCC[C@H](O)C(=O)NCCc1scnc1C
InChIInChI=1S/C11H18N2O2S2/c1-8-10(17-7-13-8)3-5-12-11(15)9(14)4-6-16-2/h7,9,14H,3-6H2,1-2H3,(H,12,15)/t9-/m0/s1
InChIKeyISTGQGLLORHKNZ-VIFPVBQESA-N
XLogP1.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 104908447
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea
CID 110747837
4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 115654323
(2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 130609015
4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110718390
2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid
CID 62071360
3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol
CID 66168458
2-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110718404
(2S)-2-hydroxy-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid
CID 107839922
3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol
CID 79424726
2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 103993489
2-(2-methylphenoxy)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110718457

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide?
The IUPAC name of (2S)-2-hydroxy-4-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide (CID 99972824) is (2S)-2-hydroxy-4-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-hydroxy-4-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide?
The canonical SMILES for (2S)-2-hydroxy-4-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide is CSCC[C@H](O)C(=O)NCCc1scnc1C.
What is the InChIKey of (2S)-2-hydroxy-4-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide?
The InChIKey is ISTGQGLLORHKNZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-8-10(17-7-13-8)3-5-12-11(15)9(14)4-6-16-2/h7,9,14H,3-6H2,1-2H3,(H,12,15)/t9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide?
(2S)-2-hydroxy-4-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide has a molecular weight of 274.41 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 99972824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).