2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol

C12H15N3OS — CID 114188456

IUPAC2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
SMILESCc1nc(NCC(O)c2ccsc2)ccc1N
InChIInChI=1S/C12H15N3OS/c1-8-10(13)2-3-12(15-8)14-6-11(16)9-4-5-17-7-9/h2-5,7,11,16H,6,13H2,1H3,(H,14,15)
InChIKeySKCKFCOHOFFFTE-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.18
Rot. Bonds4

About 2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol

2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol (PubChem CID 114188456) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
PubChem CID114188456
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
SMILESCc1nc(NCC(O)c2ccsc2)ccc1N
InChIInChI=1S/C12H15N3OS/c1-8-10(13)2-3-12(15-8)14-6-11(16)9-4-5-17-7-9/h2-5,7,11,16H,6,13H2,1H3,(H,14,15)
InChIKeySKCKFCOHOFFFTE-UHFFFAOYSA-N
XLogP2.18
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 113412276
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 106434587
2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 106436357
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436448
2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 103761546
2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103705029
6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid
CID 114188591
2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-1-thiophen-3-ylethanol
CID 106434522
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 106436324
2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436437
2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188663
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188665

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol (CID 114188456) is 2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol is Cc1nc(NCC(O)c2ccsc2)ccc1N.
What is the InChIKey of 2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
The InChIKey is SKCKFCOHOFFFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-10(13)2-3-12(15-8)14-6-11(16)9-4-5-17-7-9/h2-5,7,11,16H,6,13H2,1H3,(H,14,15).
What are the key properties of 2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol has a molecular weight of 249.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 114188456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).