2-(3-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole

C12H11N5OS — CID 3043286

IUPAC2-(3-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
SMILESCOc1cccc(-c2nc(Cc3nn[nH]n3)cs2)c1
InChIInChI=1S/C12H11N5OS/c1-18-10-4-2-3-8(5-10)12-13-9(7-19-12)6-11-14-16-17-15-11/h2-5,7H,6H2,1H3,(H,14,15,16,17)
InChIKeyIXRXMIPLLPTWQS-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.92
Rot. Bonds4

About 2-(3-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole

2-(3-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole (PubChem CID 3043286) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
PubChem CID3043286
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name2-(3-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
SMILESCOc1cccc(-c2nc(Cc3nn[nH]n3)cs2)c1
InChIInChI=1S/C12H11N5OS/c1-18-10-4-2-3-8(5-10)12-13-9(7-19-12)6-11-14-16-17-15-11/h2-5,7H,6H2,1H3,(H,14,15,16,17)
InChIKeyIXRXMIPLLPTWQS-UHFFFAOYSA-N
XLogP1.92
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(3-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole (CID 3043286) is 2-(3-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(3-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole is COc1cccc(-c2nc(Cc3nn[nH]n3)cs2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole?
The InChIKey is IXRXMIPLLPTWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-18-10-4-2-3-8(5-10)12-13-9(7-19-12)6-11-14-16-17-15-11/h2-5,7H,6H2,1H3,(H,14,15,16,17).
What are the key properties of 2-(3-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole?
2-(3-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole has a molecular weight of 273.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 3043286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).