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

C13H23N3OS — CID 119897401

IUPAC(2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide
SMILESCC(C)c1csc(CNC(=O)[C@@H](N)C(C)(C)C)n1
InChIInChI=1S/C13H23N3OS/c1-8(2)9-7-18-10(16-9)6-15-12(17)11(14)13(3,4)5/h7-8,11H,6,14H2,1-5H3,(H,15,17)/t11-/m1/s1
InChIKeyOUTGFJGGMRYMRU-LLVKDONJSA-N
MW269.41 g/mol
LogP2.26
Rot. Bonds4

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

(2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide (PubChem CID 119897401) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide
PubChem CID119897401
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide
SMILESCC(C)c1csc(CNC(=O)[C@@H](N)C(C)(C)C)n1
InChIInChI=1S/C13H23N3OS/c1-8(2)9-7-18-10(16-9)6-15-12(17)11(14)13(3,4)5/h7-8,11H,6,14H2,1-5H3,(H,15,17)/t11-/m1/s1
InChIKeyOUTGFJGGMRYMRU-LLVKDONJSA-N
XLogP2.26
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide with MolForge

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Related Compounds

ethyl 2-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3-thiazole-4-carboxylate;dihydrochloride
CID 119887590
2-amino-2-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
CID 119897370
2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 54773859
2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 82546128
4-(methylamino)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide
CID 119897377
2-(furan-2-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 110484643
3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110443343
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
(4-propan-2-yl-1,3-thiazol-2-yl)methanol
CID 10678505
2-(2-methoxyphenoxy)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 110443308
(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61148496
(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 130629082

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide (CID 119897401) is (2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide is CC(C)c1csc(CNC(=O)[C@@H](N)C(C)(C)C)n1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide?
The InChIKey is OUTGFJGGMRYMRU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-8(2)9-7-18-10(16-9)6-15-12(17)11(14)13(3,4)5/h7-8,11H,6,14H2,1-5H3,(H,15,17)/t11-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide has a molecular weight of 269.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide is sourced from PubChem (CID 119897401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).