2-[(1S)-2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid

C10H15N7O2S — CID 118500055

IUPAC2-[(1S)-2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
SMILESCCCC(C(=O)O)[C@H](Cc1nnc(N)s1)c1nn[nH]n1
InChIInChI=1S/C10H15N7O2S/c1-2-3-5(9(18)19)6(8-13-16-17-14-8)4-7-12-15-10(11)20-7/h5-6H,2-4H2,1H3,(H2,11,15)(H,18,19)(H,13,14,16,17)/t5?,6-/m0/s1
InChIKeyYFXNFSKYPGGLBQ-GDVGLLTNSA-N
MW297.34 g/mol
LogP0.46
Rot. Bonds7

About 2-[(1S)-2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid

2-[(1S)-2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid (PubChem CID 118500055) has the molecular formula C10H15N7O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-[(1S)-2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid.

Molecular Properties

Compound Name2-[(1S)-2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
PubChem CID118500055
Molecular FormulaC10H15N7O2S
Molecular Weight297.34 g/mol
Exact Mass297.10
IUPAC Name2-[(1S)-2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
SMILESCCCC(C(=O)O)[C@H](Cc1nnc(N)s1)c1nn[nH]n1
InChIInChI=1S/C10H15N7O2S/c1-2-3-5(9(18)19)6(8-13-16-17-14-8)4-7-12-15-10(11)20-7/h5-6H,2-4H2,1H3,(H2,11,15)(H,18,19)(H,13,14,16,17)/t5?,6-/m0/s1
InChIKeyYFXNFSKYPGGLBQ-GDVGLLTNSA-N
XLogP0.46
TPSA143.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The IUPAC name of 2-[(1S)-2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid (CID 118500055) is 2-[(1S)-2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid.
What is the SMILES notation for 2-[(1S)-2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The canonical SMILES for 2-[(1S)-2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid is CCCC(C(=O)O)[C@H](Cc1nnc(N)s1)c1nn[nH]n1.
What is the InChIKey of 2-[(1S)-2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The InChIKey is YFXNFSKYPGGLBQ-GDVGLLTNSA-N. The full InChI is InChI=1S/C10H15N7O2S/c1-2-3-5(9(18)19)6(8-13-16-17-14-8)4-7-12-15-10(11)20-7/h5-6H,2-4H2,1H3,(H2,11,15)(H,18,19)(H,13,14,16,17)/t5?,6-/m0/s1.
What are the key properties of 2-[(1S)-2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
2-[(1S)-2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid has a molecular weight of 297.34 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid is sourced from PubChem (CID 118500055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).