1-tert-butyl-4-(4-tert-butyl-1,3-thiazol-2-yl)-5-imino-2H-pyrrol-3-ol

C15H23N3OS — CID 135859790

IUPAC1-tert-butyl-4-(4-tert-butyl-1,3-thiazol-2-yl)-5-imino-2H-pyrrol-3-ol
SMILES[H]/N=C1\C(c2nc(C(C)(C)C)cs2)=C(O)CN1C(C)(C)C
InChIInChI=1S/C15H23N3OS/c1-14(2,3)10-8-20-13(17-10)11-9(19)7-18(12(11)16)15(4,5)6/h8,16,19H,7H2,1-6H3/b16-12+
InChIKeyPHRXAMGASKFABO-FOWTUZBSSA-N
MW293.44 g/mol
LogP3.80
Rot. Bonds1

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

1-tert-butyl-4-(4-tert-butyl-1,3-thiazol-2-yl)-5-imino-2H-pyrrol-3-ol (PubChem CID 135859790) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-tert-butyl-1,3-thiazol-2-yl)-5-imino-2H-pyrrol-3-ol.

Molecular Properties

Compound Name1-tert-butyl-4-(4-tert-butyl-1,3-thiazol-2-yl)-5-imino-2H-pyrrol-3-ol
PubChem CID135859790
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name1-tert-butyl-4-(4-tert-butyl-1,3-thiazol-2-yl)-5-imino-2H-pyrrol-3-ol
SMILES[H]/N=C1\C(c2nc(C(C)(C)C)cs2)=C(O)CN1C(C)(C)C
InChIInChI=1S/C15H23N3OS/c1-14(2,3)10-8-20-13(17-10)11-9(19)7-18(12(11)16)15(4,5)6/h8,16,19H,7H2,1-6H3/b16-12+
InChIKeyPHRXAMGASKFABO-FOWTUZBSSA-N
XLogP3.80
TPSA60.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-4-(4-tert-butyl-1,3-thiazol-2-yl)-5-imino-2H-pyrrol-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-tert-butyl-1,3-thiazol-2-yl)-5-imino-2H-pyrrol-3-ol?
The IUPAC name of 1-tert-butyl-4-(4-tert-butyl-1,3-thiazol-2-yl)-5-imino-2H-pyrrol-3-ol (CID 135859790) is 1-tert-butyl-4-(4-tert-butyl-1,3-thiazol-2-yl)-5-imino-2H-pyrrol-3-ol.
What is the SMILES notation for 1-tert-butyl-4-(4-tert-butyl-1,3-thiazol-2-yl)-5-imino-2H-pyrrol-3-ol?
The canonical SMILES for 1-tert-butyl-4-(4-tert-butyl-1,3-thiazol-2-yl)-5-imino-2H-pyrrol-3-ol is [H]/N=C1\C(c2nc(C(C)(C)C)cs2)=C(O)CN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-(4-tert-butyl-1,3-thiazol-2-yl)-5-imino-2H-pyrrol-3-ol?
The InChIKey is PHRXAMGASKFABO-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-14(2,3)10-8-20-13(17-10)11-9(19)7-18(12(11)16)15(4,5)6/h8,16,19H,7H2,1-6H3/b16-12+.
What are the key properties of 1-tert-butyl-4-(4-tert-butyl-1,3-thiazol-2-yl)-5-imino-2H-pyrrol-3-ol?
1-tert-butyl-4-(4-tert-butyl-1,3-thiazol-2-yl)-5-imino-2H-pyrrol-3-ol has a molecular weight of 293.44 g/mol, XLogP of 3.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-tert-butyl-1,3-thiazol-2-yl)-5-imino-2H-pyrrol-3-ol is sourced from PubChem (CID 135859790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).