6-(4-butoxy-2-ethoxyphenyl)-4-(5-cyclopropyl-1,3-thiazol-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one

C24H26N6O3S — CID 137226616

IUPAC6-(4-butoxy-2-ethoxyphenyl)-4-(5-cyclopropyl-1,3-thiazol-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
SMILESCCCCOc1ccc(-c2cc(-c3ncc(C4CC4)s3)c(-c3nn[nH]n3)c(=O)[nH]2)c(OCC)c1
InChIInChI=1S/C24H26N6O3S/c1-3-5-10-33-15-8-9-16(19(11-15)32-4-2)18-12-17(24-25-13-20(34-24)14-6-7-14)21(23(31)26-18)22-27-29-30-28-22/h8-9,11-14H,3-7,10H2,1-2H3,(H,26,31)(H,27,28,29,30)
InChIKeyHVSKILHWSRVLID-UHFFFAOYSA-N
MW478.58 g/mol
LogP4.80
Rot. Bonds10

About 6-(4-butoxy-2-ethoxyphenyl)-4-(5-cyclopropyl-1,3-thiazol-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one

6-(4-butoxy-2-ethoxyphenyl)-4-(5-cyclopropyl-1,3-thiazol-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one (PubChem CID 137226616) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is 6-(4-butoxy-2-ethoxyphenyl)-4-(5-cyclopropyl-1,3-thiazol-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4-butoxy-2-ethoxyphenyl)-4-(5-cyclopropyl-1,3-thiazol-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
PubChem CID137226616
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC Name6-(4-butoxy-2-ethoxyphenyl)-4-(5-cyclopropyl-1,3-thiazol-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
SMILESCCCCOc1ccc(-c2cc(-c3ncc(C4CC4)s3)c(-c3nn[nH]n3)c(=O)[nH]2)c(OCC)c1
InChIInChI=1S/C24H26N6O3S/c1-3-5-10-33-15-8-9-16(19(11-15)32-4-2)18-12-17(24-25-13-20(34-24)14-6-7-14)21(23(31)26-18)22-27-29-30-28-22/h8-9,11-14H,3-7,10H2,1-2H3,(H,26,31)(H,27,28,29,30)
InChIKeyHVSKILHWSRVLID-UHFFFAOYSA-N
XLogP4.80
TPSA118.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-butoxy-2-ethoxyphenyl)-4-(5-cyclopropyl-1,3-thiazol-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 6-(4-butoxy-2-ethoxyphenyl)-4-(5-cyclopropyl-1,3-thiazol-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one (CID 137226616) is 6-(4-butoxy-2-ethoxyphenyl)-4-(5-cyclopropyl-1,3-thiazol-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-butoxy-2-ethoxyphenyl)-4-(5-cyclopropyl-1,3-thiazol-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-(4-butoxy-2-ethoxyphenyl)-4-(5-cyclopropyl-1,3-thiazol-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one is CCCCOc1ccc(-c2cc(-c3ncc(C4CC4)s3)c(-c3nn[nH]n3)c(=O)[nH]2)c(OCC)c1.
What is the InChIKey of 6-(4-butoxy-2-ethoxyphenyl)-4-(5-cyclopropyl-1,3-thiazol-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
The InChIKey is HVSKILHWSRVLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-3-5-10-33-15-8-9-16(19(11-15)32-4-2)18-12-17(24-25-13-20(34-24)14-6-7-14)21(23(31)26-18)22-27-29-30-28-22/h8-9,11-14H,3-7,10H2,1-2H3,(H,26,31)(H,27,28,29,30).
What are the key properties of 6-(4-butoxy-2-ethoxyphenyl)-4-(5-cyclopropyl-1,3-thiazol-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
6-(4-butoxy-2-ethoxyphenyl)-4-(5-cyclopropyl-1,3-thiazol-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one has a molecular weight of 478.58 g/mol, XLogP of 4.80, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butoxy-2-ethoxyphenyl)-4-(5-cyclopropyl-1,3-thiazol-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 137226616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).