2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carboxamide

C14H16BrN3O2S — CID 18446516

IUPAC2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(NC2CCC(O)CC2)c2cc(Br)sc12
InChIInChI=1S/C14H16BrN3O2S/c15-11-5-9-12(21-11)10(13(16)20)6-17-14(9)18-7-1-3-8(19)4-2-7/h5-8,19H,1-4H2,(H2,16,20)(H,17,18)
InChIKeyPMDBGWWRXXUKLF-UHFFFAOYSA-N
MW370.27 g/mol
LogP2.87
Rot. Bonds3

About 2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carboxamide

2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 18446516) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is 2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID18446516
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC Name2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(NC2CCC(O)CC2)c2cc(Br)sc12
InChIInChI=1S/C14H16BrN3O2S/c15-11-5-9-12(21-11)10(13(16)20)6-17-14(9)18-7-1-3-8(19)4-2-7/h5-8,19H,1-4H2,(H2,16,20)(H,17,18)
InChIKeyPMDBGWWRXXUKLF-UHFFFAOYSA-N
XLogP2.87
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carboxamide (CID 18446516) is 2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(NC2CCC(O)CC2)c2cc(Br)sc12.
What is the InChIKey of 2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is PMDBGWWRXXUKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c15-11-5-9-12(21-11)10(13(16)20)6-17-14(9)18-7-1-3-8(19)4-2-7/h5-8,19H,1-4H2,(H2,16,20)(H,17,18).
What are the key properties of 2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carboxamide?
2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 370.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 18446516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).