4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine

C15H13ClN2S2 — CID 83167757

IUPAC4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine
SMILESClc1ccncc1NC(Cc1cccs1)c1cccs1
InChIInChI=1S/C15H13ClN2S2/c16-12-5-6-17-10-14(12)18-13(15-4-2-8-20-15)9-11-3-1-7-19-11/h1-8,10,13,18H,9H2
InChIKeyVOHJHKGZBLGSAU-UHFFFAOYSA-N
MW320.87 g/mol
LogP5.25
Rot. Bonds5

About 4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine

4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine (PubChem CID 83167757) has the molecular formula C15H13ClN2S2 and a molecular weight of 320.87 g/mol. Its IUPAC name is 4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine
PubChem CID83167757
Molecular FormulaC15H13ClN2S2
Molecular Weight320.87 g/mol
Exact Mass320.02
IUPAC Name4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine
SMILESClc1ccncc1NC(Cc1cccs1)c1cccs1
InChIInChI=1S/C15H13ClN2S2/c16-12-5-6-17-10-14(12)18-13(15-4-2-8-20-15)9-11-3-1-7-19-11/h1-8,10,13,18H,9H2
InChIKeyVOHJHKGZBLGSAU-UHFFFAOYSA-N
XLogP5.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.87
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine
CID 83167393
2-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine
CID 43782525
N-(1,2-dithiophen-2-ylethyl)-1H-pyrazol-4-amine
CID 43776937
2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline
CID 43762685
N-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine
CID 43769483
N-(1,2-dithiophen-2-ylethyl)-4-methylaniline
CID 43765840
N-(1,2-dithiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 107648576
(1-pyridin-4-yl-2-thiophen-2-ylethyl)hydrazine
CID 105196601
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-(4-chloro-3-pyridinyl)thiophene-2-carboxamide
CID 78965933
methyl 3-[(4-chloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 81229017
N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine?
The IUPAC name of 4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine (CID 83167757) is 4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine?
The canonical SMILES for 4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine is Clc1ccncc1NC(Cc1cccs1)c1cccs1.
What is the InChIKey of 4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine?
The InChIKey is VOHJHKGZBLGSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S2/c16-12-5-6-17-10-14(12)18-13(15-4-2-8-20-15)9-11-3-1-7-19-11/h1-8,10,13,18H,9H2.
What are the key properties of 4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine?
4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine has a molecular weight of 320.87 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine is sourced from PubChem (CID 83167757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).