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

C11H15N3OS — CID 135652697

IUPAC5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-yl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc(C)cs2)=C(O)CN1C(C)C
InChIInChI=1S/C11H15N3OS/c1-6(2)14-4-8(15)9(10(14)12)11-13-7(3)5-16-11/h5-6,12,15H,4H2,1-3H3/b12-10-
InChIKeyHCVQFHCCFANAMH-BENRWUELSA-N
MW237.33 g/mol
LogP2.42
Rot. Bonds2

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

5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-yl-2H-pyrrol-3-ol (PubChem CID 135652697) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-yl-2H-pyrrol-3-ol.

Molecular Properties

Compound Name5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-yl-2H-pyrrol-3-ol
PubChem CID135652697
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-yl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc(C)cs2)=C(O)CN1C(C)C
InChIInChI=1S/C11H15N3OS/c1-6(2)14-4-8(15)9(10(14)12)11-13-7(3)5-16-11/h5-6,12,15H,4H2,1-3H3/b12-10-
InChIKeyHCVQFHCCFANAMH-BENRWUELSA-N
XLogP2.42
TPSA60.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-4-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-yl-2H-pyrrol-3-ol?
The IUPAC name of 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-yl-2H-pyrrol-3-ol (CID 135652697) is 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-yl-2H-pyrrol-3-ol.
What is the SMILES notation for 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-yl-2H-pyrrol-3-ol?
The canonical SMILES for 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-yl-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc(C)cs2)=C(O)CN1C(C)C.
What is the InChIKey of 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-yl-2H-pyrrol-3-ol?
The InChIKey is HCVQFHCCFANAMH-BENRWUELSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-6(2)14-4-8(15)9(10(14)12)11-13-7(3)5-16-11/h5-6,12,15H,4H2,1-3H3/b12-10-.
What are the key properties of 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-yl-2H-pyrrol-3-ol?
5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-yl-2H-pyrrol-3-ol has a molecular weight of 237.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-yl-2H-pyrrol-3-ol is sourced from PubChem (CID 135652697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).