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

C7H6F3N5S — CID 136517243

IUPAC2-[(5-methyltetrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nnnn1Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H6F3N5S/c1-4-12-13-14-15(4)2-6-11-5(3-16-6)7(8,9)10/h3H,2H2,1H3
InChIKeyRPLZZJWECUMEEV-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.51
Rot. Bonds2

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

2-[(5-methyltetrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 136517243) has the molecular formula C7H6F3N5S and a molecular weight of 249.22 g/mol. Its IUPAC name is 2-[(5-methyltetrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-methyltetrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID136517243
Molecular FormulaC7H6F3N5S
Molecular Weight249.22 g/mol
Exact Mass249.03
IUPAC Name2-[(5-methyltetrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nnnn1Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H6F3N5S/c1-4-12-13-14-15(4)2-6-11-5(3-16-6)7(8,9)10/h3H,2H2,1H3
InChIKeyRPLZZJWECUMEEV-UHFFFAOYSA-N
XLogP1.51
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyltetrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(5-methyltetrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole (CID 136517243) is 2-[(5-methyltetrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(5-methyltetrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(5-methyltetrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole is Cc1nnnn1Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[(5-methyltetrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is RPLZZJWECUMEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N5S/c1-4-12-13-14-15(4)2-6-11-5(3-16-6)7(8,9)10/h3H,2H2,1H3.
What are the key properties of 2-[(5-methyltetrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole?
2-[(5-methyltetrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 249.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyltetrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 136517243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).