5-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxylic acid

C6H5N5O2S — CID 164653809

IUPAC5-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxylic acid
SMILESCn1nnc(-c2scnc2C(=O)O)n1
InChIInChI=1S/C6H5N5O2S/c1-11-9-5(8-10-11)4-3(6(12)13)7-2-14-4/h2H,1H3,(H,12,13)
InChIKeyTVTDZNVDDKZWGC-UHFFFAOYSA-N
MW211.21 g/mol
LogP0.03
Rot. Bonds2

About 5-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxylic acid

5-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 164653809) has the molecular formula C6H5N5O2S and a molecular weight of 211.21 g/mol. Its IUPAC name is 5-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID164653809
Molecular FormulaC6H5N5O2S
Molecular Weight211.21 g/mol
Exact Mass211.02
IUPAC Name5-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxylic acid
SMILESCn1nnc(-c2scnc2C(=O)O)n1
InChIInChI=1S/C6H5N5O2S/c1-11-9-5(8-10-11)4-3(6(12)13)7-2-14-4/h2H,1H3,(H,12,13)
InChIKeyTVTDZNVDDKZWGC-UHFFFAOYSA-N
XLogP0.03
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 106510392
5-pyrrolo[1,2-c]pyrimidin-5-yl-1,3-thiazole-4-carboxylic acid
CID 82385225
5-methoxycarbonyl-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid
CID 68711963
4-amino-2-(2-methyltetrazol-5-yl)benzoic acid
CID 28643101
2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid
CID 28643089
5-[4-(bromomethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 57279552
5-(4-cyanophenyl)-1,3-thiazole-4-carboxylic acid
CID 168950758
5-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 53271819
5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106510457
5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510431
5-(carboxymethyl)-1,3-thiazole-4-carboxylic acid
CID 82405580
1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one
CID 84784697

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxylic acid (CID 164653809) is 5-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxylic acid is Cn1nnc(-c2scnc2C(=O)O)n1.
What is the InChIKey of 5-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is TVTDZNVDDKZWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O2S/c1-11-9-5(8-10-11)4-3(6(12)13)7-2-14-4/h2H,1H3,(H,12,13).
What are the key properties of 5-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxylic acid?
5-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 211.21 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 164653809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).