3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine

C11H10Cl2N2S — CID 112726147

IUPAC3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
SMILESCc1ccsc1CNc1ncc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2S/c1-7-2-3-16-10(7)6-15-11-9(13)4-8(12)5-14-11/h2-5H,6H2,1H3,(H,14,15)
InChIKeyUSPQDHAVYBHERP-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.37
Rot. Bonds3

About 3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine

3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine (PubChem CID 112726147) has the molecular formula C11H10Cl2N2S and a molecular weight of 273.19 g/mol. Its IUPAC name is 3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
PubChem CID112726147
Molecular FormulaC11H10Cl2N2S
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
SMILESCc1ccsc1CNc1ncc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2S/c1-7-2-3-16-10(7)6-15-11-9(13)4-8(12)5-14-11/h2-5H,6H2,1H3,(H,14,15)
InChIKeyUSPQDHAVYBHERP-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43242469
[5-chloro-6-[(3-methylthiophen-2-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270919
3,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
CID 60706662
5-chloro-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80759163
3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63306272
3-bromo-5-chloro-N-[(3-ethylthiophen-2-yl)methyl]pyridin-2-amine
CID 114836004
3-chloro-4-fluoro-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 961610
6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine
CID 115474328
5-amino-6-[(3-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 81439435
5-fluoro-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 115750019
3,5-dichloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106373885
5-methyl-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 112730229

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine (CID 112726147) is 3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine is Cc1ccsc1CNc1ncc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine?
The InChIKey is USPQDHAVYBHERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2S/c1-7-2-3-16-10(7)6-15-11-9(13)4-8(12)5-14-11/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine?
3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine has a molecular weight of 273.19 g/mol, XLogP of 4.37, 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-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 112726147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).