5-imino-1-(4-methoxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol

C15H15N3O2S — CID 135415461

IUPAC5-imino-1-(4-methoxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc(C)cs2)=C(O)CN1c1ccc(OC)cc1
InChIInChI=1S/C15H15N3O2S/c1-9-8-21-15(17-9)13-12(19)7-18(14(13)16)10-3-5-11(20-2)6-4-10/h3-6,8,16,19H,7H2,1-2H3/b16-14-
InChIKeyDHVGREBWNYEDJM-PEZBUJJGSA-N
MW301.37 g/mol
LogP3.23
Rot. Bonds3

About 5-imino-1-(4-methoxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol

5-imino-1-(4-methoxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol (PubChem CID 135415461) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-imino-1-(4-methoxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol.

Molecular Properties

Compound Name5-imino-1-(4-methoxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol
PubChem CID135415461
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name5-imino-1-(4-methoxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc(C)cs2)=C(O)CN1c1ccc(OC)cc1
InChIInChI=1S/C15H15N3O2S/c1-9-8-21-15(17-9)13-12(19)7-18(14(13)16)10-3-5-11(20-2)6-4-10/h3-6,8,16,19H,7H2,1-2H3/b16-14-
InChIKeyDHVGREBWNYEDJM-PEZBUJJGSA-N
XLogP3.23
TPSA69.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-imino-1-(4-methoxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol?
The IUPAC name of 5-imino-1-(4-methoxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol (CID 135415461) is 5-imino-1-(4-methoxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol.
What is the SMILES notation for 5-imino-1-(4-methoxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol?
The canonical SMILES for 5-imino-1-(4-methoxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc(C)cs2)=C(O)CN1c1ccc(OC)cc1.
What is the InChIKey of 5-imino-1-(4-methoxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol?
The InChIKey is DHVGREBWNYEDJM-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9-8-21-15(17-9)13-12(19)7-18(14(13)16)10-3-5-11(20-2)6-4-10/h3-6,8,16,19H,7H2,1-2H3/b16-14-.
What are the key properties of 5-imino-1-(4-methoxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol?
5-imino-1-(4-methoxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol has a molecular weight of 301.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-1-(4-methoxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol is sourced from PubChem (CID 135415461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).