[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]methanol

C14H19N3OS — CID 86717442

IUPAC[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]methanol
SMILESNc1cnc2ccsc2c1NC1CCC(CO)CC1
InChIInChI=1S/C14H19N3OS/c15-11-7-16-12-5-6-19-14(12)13(11)17-10-3-1-9(8-18)2-4-10/h5-7,9-10,18H,1-4,8,15H2,(H,16,17)
InChIKeyKNFQZOKGVZZQOW-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.84
Rot. Bonds3

About [4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]methanol

[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]methanol (PubChem CID 86717442) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is [4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]methanol
PubChem CID86717442
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]methanol
SMILESNc1cnc2ccsc2c1NC1CCC(CO)CC1
InChIInChI=1S/C14H19N3OS/c15-11-7-16-12-5-6-19-14(12)13(11)17-10-3-1-9(8-18)2-4-10/h5-7,9-10,18H,1-4,8,15H2,(H,16,17)
InChIKeyKNFQZOKGVZZQOW-UHFFFAOYSA-N
XLogP2.84
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]methanol?
The IUPAC name of [4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]methanol (CID 86717442) is [4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]methanol is Nc1cnc2ccsc2c1NC1CCC(CO)CC1.
What is the InChIKey of [4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]methanol?
The InChIKey is KNFQZOKGVZZQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c15-11-7-16-12-5-6-19-14(12)13(11)17-10-3-1-9(8-18)2-4-10/h5-7,9-10,18H,1-4,8,15H2,(H,16,17).
What are the key properties of [4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]methanol?
[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]methanol has a molecular weight of 277.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 86717442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).