2-[(5-ethyltetrazol-1-yl)methyl]-4-methyl-1,3-thiazole

C8H11N5S — CID 75425630

IUPAC2-[(5-ethyltetrazol-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCCc1nnnn1Cc1nc(C)cs1
InChIInChI=1S/C8H11N5S/c1-3-7-10-11-12-13(7)4-8-9-6(2)5-14-8/h5H,3-4H2,1-2H3
InChIKeyKAEWBVGDVRAEKY-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.05
Rot. Bonds3

About 2-[(5-ethyltetrazol-1-yl)methyl]-4-methyl-1,3-thiazole

2-[(5-ethyltetrazol-1-yl)methyl]-4-methyl-1,3-thiazole (PubChem CID 75425630) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 2-[(5-ethyltetrazol-1-yl)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-ethyltetrazol-1-yl)methyl]-4-methyl-1,3-thiazole
PubChem CID75425630
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name2-[(5-ethyltetrazol-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCCc1nnnn1Cc1nc(C)cs1
InChIInChI=1S/C8H11N5S/c1-3-7-10-11-12-13(7)4-8-9-6(2)5-14-8/h5H,3-4H2,1-2H3
InChIKeyKAEWBVGDVRAEKY-UHFFFAOYSA-N
XLogP1.05
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(5-ethyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 47461018
4-[(3,5-Diethyl-1,2,4-triazol-1-yl)methyl]-2-(methylsulfonylmethyl)-1,3-thiazole
CID 71859151
4-[(5-Tert-butyltetrazol-1-yl)methyl]-2-ethyl-1,3-thiazole
CID 75417349
4,5-Dimethyl-2-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole
CID 75425650
4,5-Dimethyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole
CID 75482318
1-(4-isopropyl-4H-1,2,4-triazol-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 77087286
4-Tert-butyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole
CID 84587424
2,5-Dimethyl-N-[(4-methyl-1,3-thiazol-2-YL)methyl]-1,2,4-triazol-3-amine
CID 86795149
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
CID 86795192
2-[(5-Methyltetrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 136517243
2-Methyl-4-[5-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazole
CID 72920216
2-[(3-Bromo-5-methyl-1,2,4-triazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 122155100

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyltetrazol-1-yl)methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(5-ethyltetrazol-1-yl)methyl]-4-methyl-1,3-thiazole (CID 75425630) is 2-[(5-ethyltetrazol-1-yl)methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(5-ethyltetrazol-1-yl)methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(5-ethyltetrazol-1-yl)methyl]-4-methyl-1,3-thiazole is CCc1nnnn1Cc1nc(C)cs1.
What is the InChIKey of 2-[(5-ethyltetrazol-1-yl)methyl]-4-methyl-1,3-thiazole?
The InChIKey is KAEWBVGDVRAEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-3-7-10-11-12-13(7)4-8-9-6(2)5-14-8/h5H,3-4H2,1-2H3.
What are the key properties of 2-[(5-ethyltetrazol-1-yl)methyl]-4-methyl-1,3-thiazole?
2-[(5-ethyltetrazol-1-yl)methyl]-4-methyl-1,3-thiazole has a molecular weight of 209.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyltetrazol-1-yl)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 75425630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).