4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butan-1-ol

C11H14N2OS — CID 116968651

IUPAC4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butan-1-ol
SMILESOCCCCc1nc(-c2ccc[nH]2)cs1
InChIInChI=1S/C11H14N2OS/c14-7-2-1-5-11-13-10(8-15-11)9-4-3-6-12-9/h3-4,6,8,12,14H,1-2,5,7H2
InChIKeyKXTXIGZSQUGKQP-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.45
Rot. Bonds5

About 4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butan-1-ol

4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butan-1-ol (PubChem CID 116968651) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butan-1-ol
PubChem CID116968651
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butan-1-ol
SMILESOCCCCc1nc(-c2ccc[nH]2)cs1
InChIInChI=1S/C11H14N2OS/c14-7-2-1-5-11-13-10(8-15-11)9-4-3-6-12-9/h3-4,6,8,12,14H,1-2,5,7H2
InChIKeyKXTXIGZSQUGKQP-UHFFFAOYSA-N
XLogP2.45
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetic acid
CID 116965645
N-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 116968355
3-methyl-2-[[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]butan-1-ol
CID 116969683
4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968662
2-[[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]-1,3-benzothiazole
CID 17423714
2-[[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]butanenitrile
CID 116969749
3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol
CID 115039739
5-(4-bromo-1,3-thiazol-2-yl)pentan-1-ol
CID 86191561
3-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 82121362
3-[4-(3H-benzimidazol-5-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 116965587
4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclohexan-1-ol
CID 116966606
4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968635

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butan-1-ol?
The IUPAC name of 4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butan-1-ol (CID 116968651) is 4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butan-1-ol.
What is the SMILES notation for 4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butan-1-ol?
The canonical SMILES for 4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butan-1-ol is OCCCCc1nc(-c2ccc[nH]2)cs1.
What is the InChIKey of 4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butan-1-ol?
The InChIKey is KXTXIGZSQUGKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c14-7-2-1-5-11-13-10(8-15-11)9-4-3-6-12-9/h3-4,6,8,12,14H,1-2,5,7H2.
What are the key properties of 4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butan-1-ol?
4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butan-1-ol has a molecular weight of 222.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butan-1-ol is sourced from PubChem (CID 116968651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).