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

C14H14BrN3OS — CID 18446515

IUPAC2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carbonitrile
SMILESN#Cc1cnc(NC2CCC(O)CC2)c2cc(Br)sc12
InChIInChI=1S/C14H14BrN3OS/c15-12-5-11-13(20-12)8(6-16)7-17-14(11)18-9-1-3-10(19)4-2-9/h5,7,9-10,19H,1-4H2,(H,17,18)
InChIKeyICIWBIKVSUSUNV-UHFFFAOYSA-N
MW352.26 g/mol
LogP3.65
Rot. Bonds2

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

2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carbonitrile (PubChem CID 18446515) has the molecular formula C14H14BrN3OS and a molecular weight of 352.26 g/mol. Its IUPAC name is 2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carbonitrile
PubChem CID18446515
Molecular FormulaC14H14BrN3OS
Molecular Weight352.26 g/mol
Exact Mass351.00
IUPAC Name2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carbonitrile
SMILESN#Cc1cnc(NC2CCC(O)CC2)c2cc(Br)sc12
InChIInChI=1S/C14H14BrN3OS/c15-12-5-11-13(20-12)8(6-16)7-17-14(11)18-9-1-3-10(19)4-2-9/h5,7,9-10,19H,1-4H2,(H,17,18)
InChIKeyICIWBIKVSUSUNV-UHFFFAOYSA-N
XLogP3.65
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carboxamide
CID 18446516
(3S)-3-[(2-bromo-7-cyanothieno[3,2-c]pyridin-4-yl)amino]piperidine-1-carboxylic acid
CID 68500853
2-Bromo-4-[(2,6-dimethylpiperidin-3-yl)amino]thieno[3,2-c]pyridine-7-carbonitrile
CID 68503273
2-bromo-4-{[(3S)-1-methylpiperidin-3-yl]amino}thieno[3,2-c]pyridine-7-carbonitrile
CID 69009258
2-Bromo-4-(cyclohexylamino)thieno[3,2-c]pyridine-7-carbonitrile
CID 71199191
3-[(2-Bromo-7-cyanothieno[3,2-c]pyridin-4-yl)amino]piperidine-1-carboxylic acid
CID 77506413
4-[(2-Bromothieno[3,2-c]pyridin-4-yl)amino]cyclohexan-1-ol
CID 90890139
3-[(2-Bromo-7-cyanothieno[3,2-c]pyridin-4-yl)amino]-2-(hydroxymethyl)piperidine-1-carboxylic acid
CID 91312336
2-bromo-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carbonitrile
CID 141157014
4-(Thieno[3,2-c]pyridin-4-ylamino)cyclohexan-1-ol
CID 43522741
2-(Thieno[3,2-c]pyridin-4-ylamino)cyclohexan-1-ol
CID 62361107
N-[3-(4-aminocyclohexyl)oxypropyl]thieno[3,2-c]pyridin-4-amine
CID 63871191

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carbonitrile?
The IUPAC name of 2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carbonitrile (CID 18446515) is 2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carbonitrile.
What is the SMILES notation for 2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carbonitrile?
The canonical SMILES for 2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carbonitrile is N#Cc1cnc(NC2CCC(O)CC2)c2cc(Br)sc12.
What is the InChIKey of 2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carbonitrile?
The InChIKey is ICIWBIKVSUSUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3OS/c15-12-5-11-13(20-12)8(6-16)7-17-14(11)18-9-1-3-10(19)4-2-9/h5,7,9-10,19H,1-4H2,(H,17,18).
What are the key properties of 2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carbonitrile?
2-bromo-4-[(4-hydroxycyclohexyl)amino]thieno[3,2-c]pyridine-7-carbonitrile has a molecular weight of 352.26 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 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-carbonitrile is sourced from PubChem (CID 18446515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).