4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol

C12H14N2OS — CID 116968662

IUPAC4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol
SMILESOCCCCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C12H14N2OS/c15-7-2-1-5-12-14-11(9-16-12)10-4-3-6-13-8-10/h3-4,6,8-9,15H,1-2,5,7H2
InChIKeySQRZOZAPWNRZDJ-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.52
Rot. Bonds5

About 4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol

4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol (PubChem CID 116968662) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol
PubChem CID116968662
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol
SMILESOCCCCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C12H14N2OS/c15-7-2-1-5-12-14-11(9-16-12)10-4-3-6-13-8-10/h3-4,6,8-9,15H,1-2,5,7H2
InChIKeySQRZOZAPWNRZDJ-UHFFFAOYSA-N
XLogP2.52
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 24690096
N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965021
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid
CID 82116416
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62543899
2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine
CID 116965254
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 82103016
2,2-dimethyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110317630
N-butyl-N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110649314
N-(pyridin-4-ylmethyl)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 82103434
3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol
CID 115039739
N-butan-2-yl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110406311

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol?
The IUPAC name of 4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol (CID 116968662) is 4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol.
What is the SMILES notation for 4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol?
The canonical SMILES for 4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol is OCCCCc1nc(-c2cccnc2)cs1.
What is the InChIKey of 4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol?
The InChIKey is SQRZOZAPWNRZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c15-7-2-1-5-12-14-11(9-16-12)10-4-3-6-13-8-10/h3-4,6,8-9,15H,1-2,5,7H2.
What are the key properties of 4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol?
4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol has a molecular weight of 234.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol is sourced from PubChem (CID 116968662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).