4-[4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]-3,5-dimethyl-1,2-thiazole

C16H18FN7S — CID 164879153

IUPAC4-[4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]-3,5-dimethyl-1,2-thiazole
SMILESCc1nsc(C)c1N1CCN(c2cc(-c3nn[nH]n3)ccc2F)CC1
InChIInChI=1S/C16H18FN7S/c1-10-15(11(2)25-20-10)24-7-5-23(6-8-24)14-9-12(3-4-13(14)17)16-18-21-22-19-16/h3-4,9H,5-8H2,1-2H3,(H,18,19,21,22)
InChIKeyJAOJCKYRGSGBGK-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.41
Rot. Bonds3

About 4-[4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]-3,5-dimethyl-1,2-thiazole

4-[4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]-3,5-dimethyl-1,2-thiazole (PubChem CID 164879153) has the molecular formula C16H18FN7S and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]-3,5-dimethyl-1,2-thiazole.

Molecular Properties

Compound Name4-[4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]-3,5-dimethyl-1,2-thiazole
PubChem CID164879153
Molecular FormulaC16H18FN7S
Molecular Weight359.43 g/mol
Exact Mass359.13
IUPAC Name4-[4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]-3,5-dimethyl-1,2-thiazole
SMILESCc1nsc(C)c1N1CCN(c2cc(-c3nn[nH]n3)ccc2F)CC1
InChIInChI=1S/C16H18FN7S/c1-10-15(11(2)25-20-10)24-7-5-23(6-8-24)14-9-12(3-4-13(14)17)16-18-21-22-19-16/h3-4,9H,5-8H2,1-2H3,(H,18,19,21,22)
InChIKeyJAOJCKYRGSGBGK-UHFFFAOYSA-N
XLogP2.41
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]-3,5-dimethyl-1,2-thiazole?
The IUPAC name of 4-[4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]-3,5-dimethyl-1,2-thiazole (CID 164879153) is 4-[4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]-3,5-dimethyl-1,2-thiazole.
What is the SMILES notation for 4-[4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]-3,5-dimethyl-1,2-thiazole?
The canonical SMILES for 4-[4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]-3,5-dimethyl-1,2-thiazole is Cc1nsc(C)c1N1CCN(c2cc(-c3nn[nH]n3)ccc2F)CC1.
What is the InChIKey of 4-[4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]-3,5-dimethyl-1,2-thiazole?
The InChIKey is JAOJCKYRGSGBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN7S/c1-10-15(11(2)25-20-10)24-7-5-23(6-8-24)14-9-12(3-4-13(14)17)16-18-21-22-19-16/h3-4,9H,5-8H2,1-2H3,(H,18,19,21,22).
What are the key properties of 4-[4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]-3,5-dimethyl-1,2-thiazole?
4-[4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]-3,5-dimethyl-1,2-thiazole has a molecular weight of 359.43 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazin-1-yl]-3,5-dimethyl-1,2-thiazole is sourced from PubChem (CID 164879153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).