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

C8H9N5O2S2 — CID 54964497

IUPAC2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid
SMILESCc1ncc(Cn2nnnc2SCC(=O)O)s1
InChIInChI=1S/C8H9N5O2S2/c1-5-9-2-6(17-5)3-13-8(10-11-12-13)16-4-7(14)15/h2H,3-4H2,1H3,(H,14,15)
InChIKeyKXBINRRHHLZDQY-UHFFFAOYSA-N
MW271.33 g/mol
LogP0.66
Rot. Bonds5

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

2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid (PubChem CID 54964497) has the molecular formula C8H9N5O2S2 and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid
PubChem CID54964497
Molecular FormulaC8H9N5O2S2
Molecular Weight271.33 g/mol
Exact Mass271.02
IUPAC Name2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid
SMILESCc1ncc(Cn2nnnc2SCC(=O)O)s1
InChIInChI=1S/C8H9N5O2S2/c1-5-9-2-6(17-5)3-13-8(10-11-12-13)16-4-7(14)15/h2H,3-4H2,1H3,(H,14,15)
InChIKeyKXBINRRHHLZDQY-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-[(4-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid
CID 63281040
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79270354
2-[1-[2-(1,3-thiazol-2-yl)ethyl]tetrazol-5-yl]sulfanylacetic acid
CID 55174450
2-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]sulfanylacetic acid
CID 54951501
2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid
CID 81428061
2-[1-[3-(diethylamino)propyl]tetrazol-5-yl]sulfanylacetic acid
CID 29070562
2-[1-[3-(diethylamino)-3-oxopropyl]tetrazol-5-yl]sulfanylacetic acid
CID 113411581
2-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetic acid
CID 103293100
2-[1-[3-[methyl(propan-2-yl)amino]propyl]tetrazol-5-yl]sulfanylacetic acid
CID 114139243
2-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]sulfanylacetic acid
CID 29070293
2-(1-benzyltetrazol-5-yl)sulfanylacetamide
CID 893684

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid (CID 54964497) is 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid is Cc1ncc(Cn2nnnc2SCC(=O)O)s1.
What is the InChIKey of 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid?
The InChIKey is KXBINRRHHLZDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S2/c1-5-9-2-6(17-5)3-13-8(10-11-12-13)16-4-7(14)15/h2H,3-4H2,1H3,(H,14,15).
What are the key properties of 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid?
2-[1-[(2-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-[(2-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 54964497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).