N-(6-chloro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine;hydrochloride

C16H16Cl2N2S — CID 19360190

IUPACN-(6-chloro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine;hydrochloride
SMILESCCCN(c1ccncc1)c1csc2cc(Cl)ccc12.Cl
InChIInChI=1S/C16H15ClN2S.ClH/c1-2-9-19(13-5-7-18-8-6-13)15-11-20-16-10-12(17)3-4-14(15)16;/h3-8,10-11H,2,9H2,1H3;1H
InChIKeySNWRACGHGKTUCI-UHFFFAOYSA-N
MW339.29 g/mol
LogP5.92
Rot. Bonds4

About N-(6-chloro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine;hydrochloride

N-(6-chloro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine;hydrochloride (PubChem CID 19360190) has the molecular formula C16H16Cl2N2S and a molecular weight of 339.29 g/mol. Its IUPAC name is N-(6-chloro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(6-chloro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine;hydrochloride
PubChem CID19360190
Molecular FormulaC16H16Cl2N2S
Molecular Weight339.29 g/mol
Exact Mass338.04
IUPAC NameN-(6-chloro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine;hydrochloride
SMILESCCCN(c1ccncc1)c1csc2cc(Cl)ccc12.Cl
InChIInChI=1S/C16H15ClN2S.ClH/c1-2-9-19(13-5-7-18-8-6-13)15-11-20-16-10-12(17)3-4-14(15)16;/h3-8,10-11H,2,9H2,1H3;1H
InChIKeySNWRACGHGKTUCI-UHFFFAOYSA-N
XLogP5.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.29
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine;hydrochloride?
The IUPAC name of N-(6-chloro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine;hydrochloride (CID 19360190) is N-(6-chloro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine;hydrochloride.
What is the SMILES notation for N-(6-chloro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine;hydrochloride?
The canonical SMILES for N-(6-chloro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine;hydrochloride is CCCN(c1ccncc1)c1csc2cc(Cl)ccc12.Cl.
What is the InChIKey of N-(6-chloro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine;hydrochloride?
The InChIKey is SNWRACGHGKTUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S.ClH/c1-2-9-19(13-5-7-18-8-6-13)15-11-20-16-10-12(17)3-4-14(15)16;/h3-8,10-11H,2,9H2,1H3;1H.
What are the key properties of N-(6-chloro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine;hydrochloride?
N-(6-chloro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine;hydrochloride has a molecular weight of 339.29 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine;hydrochloride is sourced from PubChem (CID 19360190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).