3-[(2-methyltetrazol-5-yl)methyl]-1,3-thiazol-2-one

C6H7N5OS — CID 107054418

IUPAC3-[(2-methyltetrazol-5-yl)methyl]-1,3-thiazol-2-one
SMILESCn1nnc(Cn2ccsc2=O)n1
InChIInChI=1S/C6H7N5OS/c1-10-8-5(7-9-10)4-11-2-3-13-6(11)12/h2-3H,4H2,1H3
InChIKeyCKRLXAMDKYICNQ-UHFFFAOYSA-N
MW197.22 g/mol
LogP-0.52
Rot. Bonds2

About 3-[(2-methyltetrazol-5-yl)methyl]-1,3-thiazol-2-one

3-[(2-methyltetrazol-5-yl)methyl]-1,3-thiazol-2-one (PubChem CID 107054418) has the molecular formula C6H7N5OS and a molecular weight of 197.22 g/mol. Its IUPAC name is 3-[(2-methyltetrazol-5-yl)methyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(2-methyltetrazol-5-yl)methyl]-1,3-thiazol-2-one
PubChem CID107054418
Molecular FormulaC6H7N5OS
Molecular Weight197.22 g/mol
Exact Mass197.04
IUPAC Name3-[(2-methyltetrazol-5-yl)methyl]-1,3-thiazol-2-one
SMILESCn1nnc(Cn2ccsc2=O)n1
InChIInChI=1S/C6H7N5OS/c1-10-8-5(7-9-10)4-11-2-3-13-6(11)12/h2-3H,4H2,1H3
InChIKeyCKRLXAMDKYICNQ-UHFFFAOYSA-N
XLogP-0.52
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclopropyl-3-[(2-methyltetrazol-5-yl)methyl]imidazol-2-one
CID 107054436
5-bromo-6-methyl-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one
CID 107052028
1-[(2-methyltetrazol-5-yl)methyl]-6-oxopyridine-3-carboxylic acid
CID 107043943
2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine
CID 107052795
1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107043012
6-chloro-5-methoxy-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one
CID 107052078
3-[(1,3-diethylpyrazol-5-yl)methyl]-1,3-thiazol-2-one
CID 116622684
N-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]methanamine
CID 107045468
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one
CID 115646857
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-one
CID 115687973
1,3-dimethyl-6-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrimidine-2,4-dione
CID 136527620
1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylpropan-2-ol
CID 107045764

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]-1,3-thiazol-2-one (CID 107054418) is 3-[(2-methyltetrazol-5-yl)methyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(2-methyltetrazol-5-yl)methyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[(2-methyltetrazol-5-yl)methyl]-1,3-thiazol-2-one is Cn1nnc(Cn2ccsc2=O)n1.
What is the InChIKey of 3-[(2-methyltetrazol-5-yl)methyl]-1,3-thiazol-2-one?
The InChIKey is CKRLXAMDKYICNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5OS/c1-10-8-5(7-9-10)4-11-2-3-13-6(11)12/h2-3H,4H2,1H3.
What are the key properties of 3-[(2-methyltetrazol-5-yl)methyl]-1,3-thiazol-2-one?
3-[(2-methyltetrazol-5-yl)methyl]-1,3-thiazol-2-one has a molecular weight of 197.22 g/mol, XLogP of -0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyltetrazol-5-yl)methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 107054418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).