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

C14H11N7OS — CID 122189491

IUPAC4-(3-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
SMILESCOc1cccc(-c2csc(-n3cc(-c4nn[nH]n4)cn3)n2)c1
InChIInChI=1S/C14H11N7OS/c1-22-11-4-2-3-9(5-11)12-8-23-14(16-12)21-7-10(6-15-21)13-17-19-20-18-13/h2-8H,1H3,(H,17,18,19,20)
InChIKeyCSFNAIBGRBBMOT-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.18
Rot. Bonds4

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

4-(3-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 122189491) has the molecular formula C14H11N7OS and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
PubChem CID122189491
Molecular FormulaC14H11N7OS
Molecular Weight325.36 g/mol
Exact Mass325.07
IUPAC Name4-(3-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
SMILESCOc1cccc(-c2csc(-n3cc(-c4nn[nH]n4)cn3)n2)c1
InChIInChI=1S/C14H11N7OS/c1-22-11-4-2-3-9(5-11)12-8-23-14(16-12)21-7-10(6-15-21)13-17-19-20-18-13/h2-8H,1H3,(H,17,18,19,20)
InChIKeyCSFNAIBGRBBMOT-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-(3-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-(3-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole (CID 122189491) is 4-(3-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(3-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole is COc1cccc(-c2csc(-n3cc(-c4nn[nH]n4)cn3)n2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is CSFNAIBGRBBMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7OS/c1-22-11-4-2-3-9(5-11)12-8-23-14(16-12)21-7-10(6-15-21)13-17-19-20-18-13/h2-8H,1H3,(H,17,18,19,20).
What are the key properties of 4-(3-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
4-(3-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-(3-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 122189491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).