3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine

C10H8Cl2N2S — CID 43242469

IUPAC3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESClc1cnc(NCc2cccs2)c(Cl)c1
InChIInChI=1S/C10H8Cl2N2S/c11-7-4-9(12)10(13-5-7)14-6-8-2-1-3-15-8/h1-5H,6H2,(H,13,14)
InChIKeyNQMINPXDNRICDQ-UHFFFAOYSA-N
MW259.16 g/mol
LogP4.06
Rot. Bonds3

About 3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine

3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 43242469) has the molecular formula C10H8Cl2N2S and a molecular weight of 259.16 g/mol. Its IUPAC name is 3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID43242469
Molecular FormulaC10H8Cl2N2S
Molecular Weight259.16 g/mol
Exact Mass257.98
IUPAC Name3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESClc1cnc(NCc2cccs2)c(Cl)c1
InChIInChI=1S/C10H8Cl2N2S/c11-7-4-9(12)10(13-5-7)14-6-8-2-1-3-15-8/h1-5H,6H2,(H,13,14)
InChIKeyNQMINPXDNRICDQ-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 79557672
3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 112726147
3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 102755816
5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80771359
2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963629
N-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine
CID 63541171
6-chloro-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63729925
3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63306272
3,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
CID 60706662
3,5-dichloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106373885
2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 43173657
3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 29285859

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 43242469) is 3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine is Clc1cnc(NCc2cccs2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is NQMINPXDNRICDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2S/c11-7-4-9(12)10(13-5-7)14-6-8-2-1-3-15-8/h1-5H,6H2,(H,13,14).
What are the key properties of 3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine?
3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 259.16 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 43242469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).