(2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide

C10H17N3OS2 — CID 104908447

IUPAC(2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCSCC[C@@H](N)C(=O)NCc1scnc1C
InChIInChI=1S/C10H17N3OS2/c1-7-9(16-6-13-7)5-12-10(14)8(11)3-4-15-2/h6,8H,3-5,11H2,1-2H3,(H,12,14)/t8-/m1/s1
InChIKeyZMNVIUYXFOSHFP-MRVPVSSYSA-N
MW259.40 g/mol
LogP1.15
Rot. Bonds6

About (2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide

(2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide (PubChem CID 104908447) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is (2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
PubChem CID104908447
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name(2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCSCC[C@@H](N)C(=O)NCc1scnc1C
InChIInChI=1S/C10H17N3OS2/c1-7-9(16-6-13-7)5-12-10(14)8(11)3-4-15-2/h6,8H,3-5,11H2,1-2H3,(H,12,14)/t8-/m1/s1
InChIKeyZMNVIUYXFOSHFP-MRVPVSSYSA-N
XLogP1.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 104908213
(2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 130609015
(2S)-2-hydroxy-4-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 99972824
4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 115654323
(2R)-2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfanylbutanamide
CID 104908294
(2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 22690032
2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 63283874
(2S)-2-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-methylsulfanylbutanamide
CID 99815752
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
(2S)-2-amino-N-[(4-aminophenyl)methyl]-4-methylsulfanylbutanamide
CID 23598003
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
2-amino-4-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]butanoic acid
CID 62069953

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide (CID 104908447) is (2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide.
What is the SMILES notation for (2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The canonical SMILES for (2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide is CSCC[C@@H](N)C(=O)NCc1scnc1C.
What is the InChIKey of (2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The InChIKey is ZMNVIUYXFOSHFP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-7-9(16-6-13-7)5-12-10(14)8(11)3-4-15-2/h6,8H,3-5,11H2,1-2H3,(H,12,14)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide?
(2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide has a molecular weight of 259.40 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 104908447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).