4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole

C16H11FN6S — CID 25311503

IUPAC4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole
SMILESFc1cccc(-c2nnn(Cc3csc(-c4ccccn4)n3)n2)c1
InChIInChI=1S/C16H11FN6S/c17-12-5-3-4-11(8-12)15-20-22-23(21-15)9-13-10-24-16(19-13)14-6-1-2-7-18-14/h1-8,10H,9H2
InChIKeyILDOMBHMPLAQKT-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.05
Rot. Bonds4

About 4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole

4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole (PubChem CID 25311503) has the molecular formula C16H11FN6S and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole
PubChem CID25311503
Molecular FormulaC16H11FN6S
Molecular Weight338.37 g/mol
Exact Mass338.07
IUPAC Name4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole
SMILESFc1cccc(-c2nnn(Cc3csc(-c4ccccn4)n3)n2)c1
InChIInChI=1S/C16H11FN6S/c17-12-5-3-4-11(8-12)15-20-22-23(21-15)9-13-10-24-16(19-13)14-6-1-2-7-18-14/h1-8,10H,9H2
InChIKeyILDOMBHMPLAQKT-UHFFFAOYSA-N
XLogP3.05
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-bromophenyl)-4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
CID 16611662
2-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
CID 16610877
3-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108748855
2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole
CID 8684946
4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]pyridine
CID 47037035
4-[(5-phenyltetrazol-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
CID 35416899
4-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
CID 18154709
5-propan-2-yl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-amine
CID 79536590
2-[(5-phenyltetrazol-2-yl)methyl]pyridine
CID 134010962
N-methyl-1-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine
CID 66215841
2-(3-methoxyphenyl)-4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazole
CID 46582916
4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234338

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole (CID 25311503) is 4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole is Fc1cccc(-c2nnn(Cc3csc(-c4ccccn4)n3)n2)c1.
What is the InChIKey of 4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole?
The InChIKey is ILDOMBHMPLAQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6S/c17-12-5-3-4-11(8-12)15-20-22-23(21-15)9-13-10-24-16(19-13)14-6-1-2-7-18-14/h1-8,10H,9H2.
What are the key properties of 4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole?
4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole has a molecular weight of 338.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 25311503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).