(2S)-2-[(1S)-2-(2-amino-1,3-thiazol-5-yl)-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pentanoic acid

C17H30N6O3SSi — CID 140792410

IUPAC(2S)-2-[(1S)-2-(2-amino-1,3-thiazol-5-yl)-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pentanoic acid
SMILESCCC[C@H](C(=O)O)[C@H](Cc1cnc(N)s1)c1nnnn1COCC[Si](C)(C)C
InChIInChI=1S/C17H30N6O3SSi/c1-5-6-13(16(24)25)14(9-12-10-19-17(18)27-12)15-20-21-22-23(15)11-26-7-8-28(2,3)4/h10,13-14H,5-9,11H2,1-4H3,(H2,18,19)(H,24,25)/t13-,14-/m0/s1
InChIKeyDWYDKTKMZVLRSM-KBPBESRZSA-N
MW426.62 g/mol
LogP2.85
Rot. Bonds12

About (2S)-2-[(1S)-2-(2-amino-1,3-thiazol-5-yl)-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pentanoic acid

(2S)-2-[(1S)-2-(2-amino-1,3-thiazol-5-yl)-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pentanoic acid (PubChem CID 140792410) has the molecular formula C17H30N6O3SSi and a molecular weight of 426.62 g/mol. Its IUPAC name is (2S)-2-[(1S)-2-(2-amino-1,3-thiazol-5-yl)-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1S)-2-(2-amino-1,3-thiazol-5-yl)-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pentanoic acid
PubChem CID140792410
Molecular FormulaC17H30N6O3SSi
Molecular Weight426.62 g/mol
Exact Mass426.19
IUPAC Name(2S)-2-[(1S)-2-(2-amino-1,3-thiazol-5-yl)-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pentanoic acid
SMILESCCC[C@H](C(=O)O)[C@H](Cc1cnc(N)s1)c1nnnn1COCC[Si](C)(C)C
InChIInChI=1S/C17H30N6O3SSi/c1-5-6-13(16(24)25)14(9-12-10-19-17(18)27-12)15-20-21-22-23(15)11-26-7-8-28(2,3)4/h10,13-14H,5-9,11H2,1-4H3,(H2,18,19)(H,24,25)/t13-,14-/m0/s1
InChIKeyDWYDKTKMZVLRSM-KBPBESRZSA-N
XLogP2.85
TPSA129.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.62
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 118506028
CID 118506028
CID 118506303
CID 118506303
CID 123443911
CID 123443911
CID 123937768
CID 123937768
CID 129240164
CID 129240164
CID 129240279
CID 129240279
CID 129264656
CID 129264656
CID 140792434
CID 140792434
CID 140792463
CID 140792463
CID 140792510
CID 140792510
CID 153730271
CID 153730271
CID 173608538
CID 173608538

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-2-(2-amino-1,3-thiazol-5-yl)-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pentanoic acid?
The IUPAC name of (2S)-2-[(1S)-2-(2-amino-1,3-thiazol-5-yl)-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pentanoic acid (CID 140792410) is (2S)-2-[(1S)-2-(2-amino-1,3-thiazol-5-yl)-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pentanoic acid.
What is the SMILES notation for (2S)-2-[(1S)-2-(2-amino-1,3-thiazol-5-yl)-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pentanoic acid?
The canonical SMILES for (2S)-2-[(1S)-2-(2-amino-1,3-thiazol-5-yl)-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pentanoic acid is CCC[C@H](C(=O)O)[C@H](Cc1cnc(N)s1)c1nnnn1COCC[Si](C)(C)C.
What is the InChIKey of (2S)-2-[(1S)-2-(2-amino-1,3-thiazol-5-yl)-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pentanoic acid?
The InChIKey is DWYDKTKMZVLRSM-KBPBESRZSA-N. The full InChI is InChI=1S/C17H30N6O3SSi/c1-5-6-13(16(24)25)14(9-12-10-19-17(18)27-12)15-20-21-22-23(15)11-26-7-8-28(2,3)4/h10,13-14H,5-9,11H2,1-4H3,(H2,18,19)(H,24,25)/t13-,14-/m0/s1.
What are the key properties of (2S)-2-[(1S)-2-(2-amino-1,3-thiazol-5-yl)-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pentanoic acid?
(2S)-2-[(1S)-2-(2-amino-1,3-thiazol-5-yl)-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pentanoic acid has a molecular weight of 426.62 g/mol, XLogP of 2.85, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-2-(2-amino-1,3-thiazol-5-yl)-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pentanoic acid is sourced from PubChem (CID 140792410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).