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

C10H17N3OS — CID 103814989

IUPAC(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
SMILESCC[C@H](N)C(=O)NC(C)c1ncc(C)s1
InChIInChI=1S/C10H17N3OS/c1-4-8(11)9(14)13-7(3)10-12-5-6(2)15-10/h5,7-8H,4,11H2,1-3H3,(H,13,14)/t7?,8-/m0/s1
InChIKeyMUAZNAXMWNLMFP-MQWKRIRWSA-N
MW227.33 g/mol
LogP1.37
Rot. Bonds4

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

(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide (PubChem CID 103814989) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
PubChem CID103814989
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
SMILESCC[C@H](N)C(=O)NC(C)c1ncc(C)s1
InChIInChI=1S/C10H17N3OS/c1-4-8(11)9(14)13-7(3)10-12-5-6(2)15-10/h5,7-8H,4,11H2,1-3H3,(H,13,14)/t7?,8-/m0/s1
InChIKeyMUAZNAXMWNLMFP-MQWKRIRWSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 119898142
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119898126
(2S)-2-amino-3,3-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119898119
2-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 112702019
1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea
CID 115680005
3-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropanamide;dihydrochloride
CID 119898098
(2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814809
2-[[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 113387472
4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 82110975
(2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide
CID 103833289
2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pent-4-enamide
CID 113387252
3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103908469

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide (CID 103814989) is (2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide is CC[C@H](N)C(=O)NC(C)c1ncc(C)s1.
What is the InChIKey of (2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide?
The InChIKey is MUAZNAXMWNLMFP-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-4-8(11)9(14)13-7(3)10-12-5-6(2)15-10/h5,7-8H,4,11H2,1-3H3,(H,13,14)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide?
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide has a molecular weight of 227.33 g/mol, XLogP of 1.37, 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-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 103814989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).