4-(2-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole

C14H11N7OS — CID 122189492

IUPAC4-(2-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
SMILESCOc1ccccc1-c1csc(-n2cc(-c3nn[nH]n3)cn2)n1
InChIInChI=1S/C14H11N7OS/c1-22-12-5-3-2-4-10(12)11-8-23-14(16-11)21-7-9(6-15-21)13-17-19-20-18-13/h2-8H,1H3,(H,17,18,19,20)
InChIKeyYZRHHOMSYGADKV-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.18
Rot. Bonds4

About 4-(2-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole

4-(2-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 122189492) has the molecular formula C14H11N7OS and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
PubChem CID122189492
Molecular FormulaC14H11N7OS
Molecular Weight325.36 g/mol
Exact Mass325.07
IUPAC Name4-(2-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
SMILESCOc1ccccc1-c1csc(-n2cc(-c3nn[nH]n3)cn2)n1
InChIInChI=1S/C14H11N7OS/c1-22-12-5-3-2-4-10(12)11-8-23-14(16-11)21-7-9(6-15-21)13-17-19-20-18-13/h2-8H,1H3,(H,17,18,19,20)
InChIKeyYZRHHOMSYGADKV-UHFFFAOYSA-N
XLogP2.18
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-(2-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole (CID 122189492) is 4-(2-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(2-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(2-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole is COc1ccccc1-c1csc(-n2cc(-c3nn[nH]n3)cn2)n1.
What is the InChIKey of 4-(2-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is YZRHHOMSYGADKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7OS/c1-22-12-5-3-2-4-10(12)11-8-23-14(16-11)21-7-9(6-15-21)13-17-19-20-18-13/h2-8H,1H3,(H,17,18,19,20).
What are the key properties of 4-(2-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
4-(2-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 325.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 122189492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).