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

C13H23N3OS — CID 90648049

IUPAC(2S,3S)-2-amino-N,3-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)CCc1scnc1C
InChIInChI=1S/C13H23N3OS/c1-5-9(2)12(14)13(17)16(4)7-6-11-10(3)15-8-18-11/h8-9,12H,5-7,14H2,1-4H3/t9-,12-/m0/s1
InChIKeySTBRHXWZMKTZTF-CABZTGNLSA-N
MW269.41 g/mol
LogP1.83
Rot. Bonds6

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

(2S,3S)-2-amino-N,3-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentanamide (PubChem CID 90648049) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is (2S,3S)-2-amino-N,3-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N,3-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentanamide
PubChem CID90648049
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name(2S,3S)-2-amino-N,3-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)CCc1scnc1C
InChIInChI=1S/C13H23N3OS/c1-5-9(2)12(14)13(17)16(4)7-6-11-10(3)15-8-18-11/h8-9,12H,5-7,14H2,1-4H3/t9-,12-/m0/s1
InChIKeySTBRHXWZMKTZTF-CABZTGNLSA-N
XLogP1.83
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N,3-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-N,3-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentanamide (CID 90648049) is (2S,3S)-2-amino-N,3-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N,3-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-N,3-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentanamide is CC[C@H](C)[C@H](N)C(=O)N(C)CCc1scnc1C.
What is the InChIKey of (2S,3S)-2-amino-N,3-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentanamide?
The InChIKey is STBRHXWZMKTZTF-CABZTGNLSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-5-9(2)12(14)13(17)16(4)7-6-11-10(3)15-8-18-11/h8-9,12H,5-7,14H2,1-4H3/t9-,12-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N,3-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentanamide?
(2S,3S)-2-amino-N,3-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentanamide has a molecular weight of 269.41 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N,3-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentanamide is sourced from PubChem (CID 90648049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).