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

C9H15N3OS — CID 79023293

IUPAC(2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCC[C@H](N)C(=O)NCc1cnc(C)s1
InChIInChI=1S/C9H15N3OS/c1-3-8(10)9(13)12-5-7-4-11-6(2)14-7/h4,8H,3,5,10H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyHLURIOHTXLGECO-QMMMGPOBSA-N
MW213.31 g/mol
LogP0.81
Rot. Bonds4

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

(2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide (PubChem CID 79023293) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
PubChem CID79023293
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name(2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCC[C@H](N)C(=O)NCc1cnc(C)s1
InChIInChI=1S/C9H15N3OS/c1-3-8(10)9(13)12-5-7-4-11-6(2)14-7/h4,8H,3,5,10H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyHLURIOHTXLGECO-QMMMGPOBSA-N
XLogP0.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride
CID 119861837
2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 76897490
ethyl 3,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]butanoate
CID 116537892
(2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814809
(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 79022853
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797047
(2R)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458721
(2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458720
2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid
CID 54962423
(2S)-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 96528839
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119291761
(2S)-2-amino-3-(1H-indol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride
CID 119958028

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide (CID 79023293) is (2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide is CC[C@H](N)C(=O)NCc1cnc(C)s1.
What is the InChIKey of (2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The InChIKey is HLURIOHTXLGECO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-8(10)9(13)12-5-7-4-11-6(2)14-7/h4,8H,3,5,10H2,1-2H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide has a molecular weight of 213.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 79023293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).