2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid

C8H9N5O2S2 — CID 63281040

IUPAC2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid
SMILESCc1ncsc1Cn1nnnc1SCC(=O)O
InChIInChI=1S/C8H9N5O2S2/c1-5-6(17-4-9-5)2-13-8(10-11-12-13)16-3-7(14)15/h4H,2-3H2,1H3,(H,14,15)
InChIKeyFJJGVGDCCFSASQ-UHFFFAOYSA-N
MW271.33 g/mol
LogP0.66
Rot. Bonds5

About 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid

2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid (PubChem CID 63281040) has the molecular formula C8H9N5O2S2 and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid
PubChem CID63281040
Molecular FormulaC8H9N5O2S2
Molecular Weight271.33 g/mol
Exact Mass271.02
IUPAC Name2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid
SMILESCc1ncsc1Cn1nnnc1SCC(=O)O
InChIInChI=1S/C8H9N5O2S2/c1-5-6(17-4-9-5)2-13-8(10-11-12-13)16-3-7(14)15/h4H,2-3H2,1H3,(H,14,15)
InChIKeyFJJGVGDCCFSASQ-UHFFFAOYSA-N
XLogP0.66
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid
CID 54964497
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
2-[1-[2-(1,3-thiazol-2-yl)ethyl]tetrazol-5-yl]sulfanylacetic acid
CID 55174450
2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid
CID 81428061
2-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetic acid
CID 103293100
2-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]sulfanylacetic acid
CID 29070293
4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 171682245
2-[1-[3-(diethylamino)-3-oxopropyl]tetrazol-5-yl]sulfanylacetic acid
CID 113411581
2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]-1-phenylethanone
CID 126832961
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazole-4-carboxylic acid
CID 62070666
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 653360
2-[1-[3-[methyl(propan-2-yl)amino]propyl]tetrazol-5-yl]sulfanylacetic acid
CID 114139243

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid (CID 63281040) is 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid is Cc1ncsc1Cn1nnnc1SCC(=O)O.
What is the InChIKey of 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid?
The InChIKey is FJJGVGDCCFSASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S2/c1-5-6(17-4-9-5)2-13-8(10-11-12-13)16-3-7(14)15/h4H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid?
2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid has a molecular weight of 271.33 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 63281040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).