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

C10H17N3OS — CID 63239799

IUPAC(2S)-2-amino-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCCc1nccs1
InChIInChI=1S/C10H17N3OS/c1-7(2)9(11)10(14)13-4-3-8-12-5-6-15-8/h5-7,9H,3-4,11H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyKFSNAWUKSKAHNW-VIFPVBQESA-N
MW227.33 g/mol
LogP0.79
Rot. Bonds5

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

(2S)-2-amino-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide (PubChem CID 63239799) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
PubChem CID63239799
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name(2S)-2-amino-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCCc1nccs1
InChIInChI=1S/C10H17N3OS/c1-7(2)9(11)10(14)13-4-3-8-12-5-6-15-8/h5-7,9H,3-4,11H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyKFSNAWUKSKAHNW-VIFPVBQESA-N
XLogP0.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 63239940
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 76988662
2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119860322
2-carbamothioyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 63240426
(2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283871
2,2-dimethyl-3-oxo-3-[2-(1,3-thiazol-2-yl)ethylamino]propanoic acid
CID 82820922
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
2-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]guanidine
CID 62407842
5-amino-2-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
CID 63245152
2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride
CID 119288925
4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238691
(2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 104903307

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide (CID 63239799) is (2S)-2-amino-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide is CC(C)[C@H](N)C(=O)NCCc1nccs1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide?
The InChIKey is KFSNAWUKSKAHNW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(2)9(11)10(14)13-4-3-8-12-5-6-15-8/h5-7,9H,3-4,11H2,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide?
(2S)-2-amino-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide has a molecular weight of 227.33 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 63239799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).