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

C10H17N3OS — CID 119891888

IUPAC(2S)-2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCC[C@H](N)C(=O)NCc1sc(C)nc1C
InChIInChI=1S/C10H17N3OS/c1-4-8(11)10(14)12-5-9-6(2)13-7(3)15-9/h8H,4-5,11H2,1-3H3,(H,12,14)/t8-/m0/s1
InChIKeyOQZHITVYNMIXBN-QMMMGPOBSA-N
MW227.33 g/mol
LogP1.11
Rot. Bonds4

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

(2S)-2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]butanamide (PubChem CID 119891888) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]butanamide
PubChem CID119891888
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name(2S)-2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCC[C@H](N)C(=O)NCc1sc(C)nc1C
InChIInChI=1S/C10H17N3OS/c1-4-8(11)10(14)12-5-9-6(2)13-7(3)15-9/h8H,4-5,11H2,1-3H3,(H,12,14)/t8-/m0/s1
InChIKeyOQZHITVYNMIXBN-QMMMGPOBSA-N
XLogP1.11
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
CID 83624959
2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119891833
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 79023293
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 131129143
2-(3,5-dimethylphenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
CID 121122639
(2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814809
(2S)-2-amino-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 79022904
(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 79022853
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119891916
1-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 119891897
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 121122681
(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
CID 79236085

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]butanamide (CID 119891888) is (2S)-2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]butanamide is CC[C@H](N)C(=O)NCc1sc(C)nc1C.
What is the InChIKey of (2S)-2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]butanamide?
The InChIKey is OQZHITVYNMIXBN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-4-8(11)10(14)12-5-9-6(2)13-7(3)15-9/h8H,4-5,11H2,1-3H3,(H,12,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]butanamide?
(2S)-2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]butanamide has a molecular weight of 227.33 g/mol, XLogP of 1.11, 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-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 119891888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).