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

C15H11N5S2 — CID 35416899

IUPAC4-[(5-phenyltetrazol-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
SMILESc1ccc(-c2nnn(Cc3csc(-c4ccsc4)n3)n2)cc1
InChIInChI=1S/C15H11N5S2/c1-2-4-11(5-3-1)14-17-19-20(18-14)8-13-10-22-15(16-13)12-6-7-21-9-12/h1-7,9-10H,8H2
InChIKeyUQZBIQHYZFJLQI-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.57
Rot. Bonds4

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

4-[(5-phenyltetrazol-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole (PubChem CID 35416899) has the molecular formula C15H11N5S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-[(5-phenyltetrazol-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(5-phenyltetrazol-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
PubChem CID35416899
Molecular FormulaC15H11N5S2
Molecular Weight325.42 g/mol
Exact Mass325.05
IUPAC Name4-[(5-phenyltetrazol-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
SMILESc1ccc(-c2nnn(Cc3csc(-c4ccsc4)n3)n2)cc1
InChIInChI=1S/C15H11N5S2/c1-2-4-11(5-3-1)14-17-19-20(18-14)8-13-10-22-15(16-13)12-6-7-21-9-12/h1-7,9-10H,8H2
InChIKeyUQZBIQHYZFJLQI-UHFFFAOYSA-N
XLogP3.57
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole
CID 8684946
2-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
CID 16610877
2-cyclopentyl-4-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,3-thiazole
CID 136579660
2-(3-methoxyphenyl)-4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazole
CID 46582916
4-[[4-(bromomethyl)triazol-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 55071920
2-thiophen-3-yl-4-[[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 31313736
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
2-(3-bromophenyl)-4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
CID 16611662
4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole
CID 25311503
4-[(4-phenylphenyl)methylsulfinylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 78853478
2-[(5-phenyltetrazol-2-yl)methyl]pyridine
CID 134010962
4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 24629381

Frequently Asked Questions

What is the IUPAC name of 4-[(5-phenyltetrazol-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 4-[(5-phenyltetrazol-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole (CID 35416899) is 4-[(5-phenyltetrazol-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 4-[(5-phenyltetrazol-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 4-[(5-phenyltetrazol-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole is c1ccc(-c2nnn(Cc3csc(-c4ccsc4)n3)n2)cc1.
What is the InChIKey of 4-[(5-phenyltetrazol-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole?
The InChIKey is UQZBIQHYZFJLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5S2/c1-2-4-11(5-3-1)14-17-19-20(18-14)8-13-10-22-15(16-13)12-6-7-21-9-12/h1-7,9-10H,8H2.
What are the key properties of 4-[(5-phenyltetrazol-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole?
4-[(5-phenyltetrazol-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole has a molecular weight of 325.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-phenyltetrazol-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 35416899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).