4-(tetrazol-1-ylmethyl)-1,3-thiazole

C5H5N5S — CID 19771046

IUPAC4-(tetrazol-1-ylmethyl)-1,3-thiazole
SMILESc1nc(Cn2cnnn2)cs1
InChIInChI=1S/C5H5N5S/c1(5-2-11-4-6-5)10-3-7-8-9-10/h2-4H,1H2
InChIKeyQGACXMUDFVPFTD-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.18
Rot. Bonds2

About 4-(tetrazol-1-ylmethyl)-1,3-thiazole

4-(tetrazol-1-ylmethyl)-1,3-thiazole (PubChem CID 19771046) has the molecular formula C5H5N5S and a molecular weight of 167.20 g/mol. Its IUPAC name is 4-(tetrazol-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(tetrazol-1-ylmethyl)-1,3-thiazole
PubChem CID19771046
Molecular FormulaC5H5N5S
Molecular Weight167.20 g/mol
Exact Mass167.03
IUPAC Name4-(tetrazol-1-ylmethyl)-1,3-thiazole
SMILESc1nc(Cn2cnnn2)cs1
InChIInChI=1S/C5H5N5S/c1(5-2-11-4-6-5)10-3-7-8-9-10/h2-4H,1H2
InChIKeyQGACXMUDFVPFTD-UHFFFAOYSA-N
XLogP0.18
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(tetrazol-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(tetrazol-1-ylmethyl)-1,3-thiazole (CID 19771046) is 4-(tetrazol-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(tetrazol-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(tetrazol-1-ylmethyl)-1,3-thiazole is c1nc(Cn2cnnn2)cs1.
What is the InChIKey of 4-(tetrazol-1-ylmethyl)-1,3-thiazole?
The InChIKey is QGACXMUDFVPFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5S/c1(5-2-11-4-6-5)10-3-7-8-9-10/h2-4H,1H2.
What are the key properties of 4-(tetrazol-1-ylmethyl)-1,3-thiazole?
4-(tetrazol-1-ylmethyl)-1,3-thiazole has a molecular weight of 167.20 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazol-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 19771046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).