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

C13H23N3OS — CID 119891763

IUPAC(2S)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutanamide
SMILESCc1nc(CCNC(=O)[C@@H](N)C(C)(C)C)sc1C
InChIInChI=1S/C13H23N3OS/c1-8-9(2)18-10(16-8)6-7-15-12(17)11(14)13(3,4)5/h11H,6-7,14H2,1-5H3,(H,15,17)/t11-/m1/s1
InChIKeyUFQGDQAIQOORFG-LLVKDONJSA-N
MW269.41 g/mol
LogP1.79
Rot. Bonds4

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

(2S)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutanamide (PubChem CID 119891763) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutanamide
PubChem CID119891763
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name(2S)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutanamide
SMILESCc1nc(CCNC(=O)[C@@H](N)C(C)(C)C)sc1C
InChIInChI=1S/C13H23N3OS/c1-8-9(2)18-10(16-8)6-7-15-12(17)11(14)13(3,4)5/h11H,6-7,14H2,1-5H3,(H,15,17)/t11-/m1/s1
InChIKeyUFQGDQAIQOORFG-LLVKDONJSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutanamide (CID 119891763) is (2S)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutanamide is Cc1nc(CCNC(=O)[C@@H](N)C(C)(C)C)sc1C.
What is the InChIKey of (2S)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is UFQGDQAIQOORFG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-8-9(2)18-10(16-8)6-7-15-12(17)11(14)13(3,4)5/h11H,6-7,14H2,1-5H3,(H,15,17)/t11-/m1/s1.
What are the key properties of (2S)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 269.41 g/mol, XLogP of 1.79, 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-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119891763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).