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

C14H19N3OS — CID 82103016

IUPAC2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
SMILESCCC(CO)NCCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C14H19N3OS/c1-2-12(9-18)16-7-5-14-17-13(10-19-14)11-4-3-6-15-8-11/h3-4,6,8,10,12,16,18H,2,5,7,9H2,1H3
InChIKeyZGSPLQKHVWUJTN-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.11
Rot. Bonds7

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

2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol (PubChem CID 82103016) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
PubChem CID82103016
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
SMILESCCC(CO)NCCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C14H19N3OS/c1-2-12(9-18)16-7-5-14-17-13(10-19-14)11-4-3-6-15-8-11/h3-4,6,8,10,12,16,18H,2,5,7,9H2,1H3
InChIKeyZGSPLQKHVWUJTN-UHFFFAOYSA-N
XLogP2.11
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62543899
2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 82103012
2,2-dimethyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110317630
(2S)-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
CID 94893161
N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965021
N-butan-2-yl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110406311
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968662
N-(pyridin-4-ylmethyl)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 82103434
2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 24690096
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid
CID 82116416
2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine
CID 116965254

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol?
The IUPAC name of 2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol (CID 82103016) is 2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol?
The canonical SMILES for 2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol is CCC(CO)NCCc1nc(-c2cccnc2)cs1.
What is the InChIKey of 2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol?
The InChIKey is ZGSPLQKHVWUJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-2-12(9-18)16-7-5-14-17-13(10-19-14)11-4-3-6-15-8-11/h3-4,6,8,10,12,16,18H,2,5,7,9H2,1H3.
What are the key properties of 2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol?
2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol has a molecular weight of 277.39 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 82103016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).