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

C11H19N3OS — CID 119869551

IUPAC(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide
SMILESCCc1nc(CCNC(=O)[C@@H](N)CC)cs1
InChIInChI=1S/C11H19N3OS/c1-3-9(12)11(15)13-6-5-8-7-16-10(4-2)14-8/h7,9H,3-6,12H2,1-2H3,(H,13,15)/t9-/m0/s1
InChIKeyVZKIYUMUUDBTPI-VIFPVBQESA-N
MW241.36 g/mol
LogP1.10
Rot. Bonds6

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

(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide (PubChem CID 119869551) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide
PubChem CID119869551
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide
SMILESCCc1nc(CCNC(=O)[C@@H](N)CC)cs1
InChIInChI=1S/C11H19N3OS/c1-3-9(12)11(15)13-6-5-8-7-16-10(4-2)14-8/h7,9H,3-6,12H2,1-2H3,(H,13,15)/t9-/m0/s1
InChIKeyVZKIYUMUUDBTPI-VIFPVBQESA-N
XLogP1.10
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119869550
2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 122567185
(2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 106047524
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pent-4-enamide
CID 106047514
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109389950
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 95300643
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea
CID 56823507
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119841419
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea
CID 110747798
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
CID 95275005

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide (CID 119869551) is (2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide is CCc1nc(CCNC(=O)[C@@H](N)CC)cs1.
What is the InChIKey of (2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide?
The InChIKey is VZKIYUMUUDBTPI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-9(12)11(15)13-6-5-8-7-16-10(4-2)14-8/h7,9H,3-6,12H2,1-2H3,(H,13,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide?
(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide has a molecular weight of 241.36 g/mol, XLogP of 1.10, 6 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-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 119869551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).