4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-phenyl-2H-pyrrol-3-ol

C15H15N3OS — CID 135653617

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-phenyl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc(C)c(C)s2)=C(O)CN1c1ccccc1
InChIInChI=1S/C15H15N3OS/c1-9-10(2)20-15(17-9)13-12(19)8-18(14(13)16)11-6-4-3-5-7-11/h3-7,16,19H,8H2,1-2H3/b16-14-
InChIKeyYGWOKEBZUOTTBY-PEZBUJJGSA-N
MW285.37 g/mol
LogP3.53
Rot. Bonds2

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

4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-phenyl-2H-pyrrol-3-ol (PubChem CID 135653617) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-phenyl-2H-pyrrol-3-ol.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-phenyl-2H-pyrrol-3-ol
PubChem CID135653617
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-phenyl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc(C)c(C)s2)=C(O)CN1c1ccccc1
InChIInChI=1S/C15H15N3OS/c1-9-10(2)20-15(17-9)13-12(19)8-18(14(13)16)11-6-4-3-5-7-11/h3-7,16,19H,8H2,1-2H3/b16-14-
InChIKeyYGWOKEBZUOTTBY-PEZBUJJGSA-N
XLogP3.53
TPSA60.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]-5-imino-2H-pyrrol-3-ol
CID 135451562
4-(1,3-benzothiazol-2-yl)-1-(2-hydroxypropyl)-5-imino-2H-pyrrol-3-ol
CID 135512167
5-amino-4-(1,3-benzothiazol-2-yl)-1-cyclohexyl-2H-pyrrol-3-one
CID 135399202
4-(1,3-benzothiazol-2-yl)-1-(3-hydroxypropyl)-5-imino-2,5-dihydro-1H-pyrrol-3-ol
CID 135415427
5-amino-4-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)-1,2-dihydro-3H-pyrrol-3-one
CID 135415526
5-Amino-4-benzothiazol-2-yl-1-butyl-1,2-dihydro-pyrrol-3-one
CID 135417046
5-Amino-4-benzothiazol-2-yl-1-benzyl-1,2-dihydro-pyrrol-3-one
CID 135444823
4-(1,3-benzothiazol-2-yl)-1-[3-(diethylamino)propyl]-5-imino-2H-pyrrol-3-ol
CID 135493446
5-amino-4-(1,3-benzothiazol-2-yl)-1-ethyl-1,2-dihydro-3H-pyrrol-3-one
CID 135493448
5-amino-4-(1,3-benzothiazol-2-yl)-1-phenyl-2H-pyrrol-3-one
CID 135399205
1,5-diamino-4-(1,3-benzothiazol-2-yl)-2,3-dihydro-1H-pyrrol-3-one
CID 135467339
5-imino-4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1-phenyl-2H-pyrrol-3-ol
CID 135680100

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-phenyl-2H-pyrrol-3-ol?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-phenyl-2H-pyrrol-3-ol (CID 135653617) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-phenyl-2H-pyrrol-3-ol.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-phenyl-2H-pyrrol-3-ol?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-phenyl-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc(C)c(C)s2)=C(O)CN1c1ccccc1.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-phenyl-2H-pyrrol-3-ol?
The InChIKey is YGWOKEBZUOTTBY-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9-10(2)20-15(17-9)13-12(19)8-18(14(13)16)11-6-4-3-5-7-11/h3-7,16,19H,8H2,1-2H3/b16-14-.
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-phenyl-2H-pyrrol-3-ol?
4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-phenyl-2H-pyrrol-3-ol has a molecular weight of 285.37 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-phenyl-2H-pyrrol-3-ol is sourced from PubChem (CID 135653617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).