1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol

C16H21N3OS — CID 111425385

IUPAC1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol
SMILESOC(CNCc1csc(-c2ccccn2)n1)C1CCCC1
InChIInChI=1S/C16H21N3OS/c20-15(12-5-1-2-6-12)10-17-9-13-11-21-16(19-13)14-7-3-4-8-18-14/h3-4,7-8,11-12,15,17,20H,1-2,5-6,9-10H2
InChIKeyKTCQCAAGBDLRST-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.85
Rot. Bonds6

About 1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol

1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol (PubChem CID 111425385) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol
PubChem CID111425385
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol
SMILESOC(CNCc1csc(-c2ccccn2)n1)C1CCCC1
InChIInChI=1S/C16H21N3OS/c20-15(12-5-1-2-6-12)10-17-9-13-11-21-16(19-13)14-7-3-4-8-18-14/h3-4,7-8,11-12,15,17,20H,1-2,5-6,9-10H2
InChIKeyKTCQCAAGBDLRST-UHFFFAOYSA-N
XLogP2.85
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425450
1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 115768471
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 108784317
1-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425440
(2S)-1-[4-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274206
2-methyl-2-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 111696195
N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17449429
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55025320
5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pentan-1-ol
CID 107302977
N-propan-2-yl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]propanamide
CID 115582676
(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 98784933

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol?
The IUPAC name of 1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol (CID 111425385) is 1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol.
What is the SMILES notation for 1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol?
The canonical SMILES for 1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol is OC(CNCc1csc(-c2ccccn2)n1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol?
The InChIKey is KTCQCAAGBDLRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c20-15(12-5-1-2-6-12)10-17-9-13-11-21-16(19-13)14-7-3-4-8-18-14/h3-4,7-8,11-12,15,17,20H,1-2,5-6,9-10H2.
What are the key properties of 1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol?
1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol has a molecular weight of 303.43 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 111425385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).