2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol

C11H11ClN2OS — CID 103705029

IUPAC2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
SMILESOC(CNc1ccc(Cl)cn1)c1ccsc1
InChIInChI=1S/C11H11ClN2OS/c12-9-1-2-11(13-5-9)14-6-10(15)8-3-4-16-7-8/h1-5,7,10,15H,6H2,(H,13,14)
InChIKeyNWQOJGIFBHKOMR-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.94
Rot. Bonds4

About 2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol

2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol (PubChem CID 103705029) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
PubChem CID103705029
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
SMILESOC(CNc1ccc(Cl)cn1)c1ccsc1
InChIInChI=1S/C11H11ClN2OS/c12-9-1-2-11(13-5-9)14-6-10(15)8-3-4-16-7-8/h1-5,7,10,15H,6H2,(H,13,14)
InChIKeyNWQOJGIFBHKOMR-UHFFFAOYSA-N
XLogP2.94
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 103761546
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103858145
2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 102975891
5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 63245983
6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340068
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188665
2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188663
2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol
CID 133351470
2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 113412276
2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188456
2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 106436357
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188670

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol (CID 103705029) is 2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol is OC(CNc1ccc(Cl)cn1)c1ccsc1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
The InChIKey is NWQOJGIFBHKOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c12-9-1-2-11(13-5-9)14-6-10(15)8-3-4-16-7-8/h1-5,7,10,15H,6H2,(H,13,14).
What are the key properties of 2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol has a molecular weight of 254.74 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103705029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).