4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine

C14H11ClN2S2 — CID 83167393

IUPAC4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine
SMILESClc1ccncc1NC(c1cccs1)c1cccs1
InChIInChI=1S/C14H11ClN2S2/c15-10-5-6-16-9-11(10)17-14(12-3-1-7-18-12)13-4-2-8-19-13/h1-9,14,17H
InChIKeyYNDABSZCYQADDO-UHFFFAOYSA-N
MW306.84 g/mol
LogP5.06
Rot. Bonds4

About 4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine

4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine (PubChem CID 83167393) has the molecular formula C14H11ClN2S2 and a molecular weight of 306.84 g/mol. Its IUPAC name is 4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine
PubChem CID83167393
Molecular FormulaC14H11ClN2S2
Molecular Weight306.84 g/mol
Exact Mass306.01
IUPAC Name4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine
SMILESClc1ccncc1NC(c1cccs1)c1cccs1
InChIInChI=1S/C14H11ClN2S2/c15-10-5-6-16-9-11(10)17-14(12-3-1-7-18-12)13-4-2-8-19-13/h1-9,14,17H
InChIKeyYNDABSZCYQADDO-UHFFFAOYSA-N
XLogP5.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.84
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine
CID 83167757
2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline
CID 43757202
4-chloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pyridin-3-amine
CID 83167719
5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine
CID 75512507
2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline
CID 43788805
2-chloro-N-(dithiophen-2-ylmethyl)-4-fluoroaniline
CID 43774020
N-(4-chloro-3-pyridinyl)thiophene-2-carboxamide
CID 78965933
2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline
CID 43773694
3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 99812951
2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline
CID 66253055
3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 95932121
3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine
CID 104776798

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine?
The IUPAC name of 4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine (CID 83167393) is 4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine?
The canonical SMILES for 4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine is Clc1ccncc1NC(c1cccs1)c1cccs1.
What is the InChIKey of 4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine?
The InChIKey is YNDABSZCYQADDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S2/c15-10-5-6-16-9-11(10)17-14(12-3-1-7-18-12)13-4-2-8-19-13/h1-9,14,17H.
What are the key properties of 4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine?
4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine has a molecular weight of 306.84 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 83167393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).