2-methyl-3-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]butanoic acid

C10H13N5O2S — CID 114031520

IUPAC2-methyl-3-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]butanoic acid
SMILESCc1ncc(-c2nnnn2C(C)C(C)C(=O)O)s1
InChIInChI=1S/C10H13N5O2S/c1-5(10(16)17)6(2)15-9(12-13-14-15)8-4-11-7(3)18-8/h4-6H,1-3H3,(H,16,17)
InChIKeyNMYYBOHIDPGGEP-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.39
Rot. Bonds4

About 2-methyl-3-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]butanoic acid

2-methyl-3-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]butanoic acid (PubChem CID 114031520) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-methyl-3-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-methyl-3-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]butanoic acid
PubChem CID114031520
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name2-methyl-3-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]butanoic acid
SMILESCc1ncc(-c2nnnn2C(C)C(C)C(=O)O)s1
InChIInChI=1S/C10H13N5O2S/c1-5(10(16)17)6(2)15-9(12-13-14-15)8-4-11-7(3)18-8/h4-6H,1-3H3,(H,16,17)
InChIKeyNMYYBOHIDPGGEP-UHFFFAOYSA-N
XLogP1.39
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-3-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]butanoic acid
CID 113416689
3-[5-(5-iodothiophen-3-yl)tetrazol-1-yl]-2-methylbutanoic acid
CID 113416699
3-[5-(3-bromo-2-pyridinyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 107526445
1-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
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2-methyl-3-(5-pyrazolo[1,5-a]pyrazin-3-yltetrazol-1-yl)butanoic acid
CID 103123623
3-(5-hexyltetrazol-1-yl)-2-methylbutanoic acid
CID 114754261
2-[5-(2-methyl-1,3-thiazol-4-yl)tetrazol-1-yl]propanoic acid
CID 66043180
2-[5-(6-butoxy-1-benzothiophen-2-yl)tetrazol-1-yl]propanoic acid
CID 67906796
2-methyl-3-[5-(2-methylcyclopentyl)tetrazol-1-yl]butanoic acid
CID 107185878
3-methyl-2-(5-thiophen-2-yltetrazol-1-yl)pentanoic acid
CID 82225831
2-(dimethylamino)-2-(2-methyl-1,3-thiazol-5-yl)acetic acid
CID 126972584
3-(2-methyl-1,3-thiazol-5-yl)benzoic acid
CID 68846285

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 2-methyl-3-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]butanoic acid (CID 114031520) is 2-methyl-3-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 2-methyl-3-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 2-methyl-3-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]butanoic acid is Cc1ncc(-c2nnnn2C(C)C(C)C(=O)O)s1.
What is the InChIKey of 2-methyl-3-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]butanoic acid?
The InChIKey is NMYYBOHIDPGGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-5(10(16)17)6(2)15-9(12-13-14-15)8-4-11-7(3)18-8/h4-6H,1-3H3,(H,16,17).
What are the key properties of 2-methyl-3-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]butanoic acid?
2-methyl-3-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]butanoic acid has a molecular weight of 267.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 114031520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).