N-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine

C10H9ClN2S — CID 115637285

IUPACN-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine
SMILESC=C(Cl)CNc1nccc2sccc12
InChIInChI=1S/C10H9ClN2S/c1-7(11)6-13-10-8-3-5-14-9(8)2-4-12-10/h2-5H,1,6H2,(H,12,13)
InChIKeyKBLIWUSETVENPO-UHFFFAOYSA-N
MW224.72 g/mol
LogP3.46
Rot. Bonds3

About N-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine

N-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 115637285) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine
PubChem CID115637285
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC NameN-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine
SMILESC=C(Cl)CNc1nccc2sccc12
InChIInChI=1S/C10H9ClN2S/c1-7(11)6-13-10-8-3-5-14-9(8)2-4-12-10/h2-5H,1,6H2,(H,12,13)
InChIKeyKBLIWUSETVENPO-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(thieno[3,2-c]pyridin-4-ylamino)acetamide
CID 43522799
N-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine
CID 106124235
N-tert-butylthieno[3,2-c]pyridin-4-amine
CID 126975731
N-(1,2-oxazol-3-ylmethyl)thieno[3,2-c]pyridin-4-amine
CID 79492609
N-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine
CID 107390126
N-(2,3,3-trimethylbutyl)thieno[3,2-c]pyridin-4-amine
CID 83143600
2-ethyl-2-[(thieno[3,2-c]pyridin-4-ylamino)methyl]butan-1-ol
CID 103844406
N-(2-chloro-2-phenylethyl)thieno[3,2-c]pyridin-4-amine
CID 65027465
N-[[1-(chloromethyl)cyclopentyl]methyl]thieno[3,2-c]pyridin-4-amine
CID 113294681
N-[(E)-pent-3-enyl]thieno[3,2-c]pyridin-4-amine
CID 115628494
[1-[(thieno[3,2-c]pyridin-4-ylamino)methyl]cyclohexyl]methanol
CID 112697561
N-(3-methylsulfonylpropyl)thieno[3,2-c]pyridin-4-amine
CID 54905473

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine (CID 115637285) is N-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine is C=C(Cl)CNc1nccc2sccc12.
What is the InChIKey of N-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is KBLIWUSETVENPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c1-7(11)6-13-10-8-3-5-14-9(8)2-4-12-10/h2-5H,1,6H2,(H,12,13).
What are the key properties of N-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine?
N-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 224.72 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 115637285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).