(3-methylthiophen-2-yl)-pyridin-3-ylmethanamine

C11H12N2S — CID 78973972

IUPAC(3-methylthiophen-2-yl)-pyridin-3-ylmethanamine
SMILESCc1ccsc1C(N)c1cccnc1
InChIInChI=1S/C11H12N2S/c1-8-4-6-14-11(8)10(12)9-3-2-5-13-7-9/h2-7,10H,12H2,1H3
InChIKeyDKTXEEGHWZVVOV-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.50
Rot. Bonds2

About (3-methylthiophen-2-yl)-pyridin-3-ylmethanamine

(3-methylthiophen-2-yl)-pyridin-3-ylmethanamine (PubChem CID 78973972) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-pyridin-3-ylmethanamine
PubChem CID78973972
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name(3-methylthiophen-2-yl)-pyridin-3-ylmethanamine
SMILESCc1ccsc1C(N)c1cccnc1
InChIInChI=1S/C11H12N2S/c1-8-4-6-14-11(8)10(12)9-3-2-5-13-7-9/h2-7,10H,12H2,1H3
InChIKeyDKTXEEGHWZVVOV-UHFFFAOYSA-N
XLogP2.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylthiophen-2-yl)-pyrimidin-5-ylmethanamine
CID 115827446
(6-methyl-3-pyridinyl)-(3-methylthiophen-2-yl)methanamine
CID 115854886
N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine
CID 78973953
3-[amino-(3-methylthiophen-2-yl)methyl]aniline
CID 116936643
(3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanamine
CID 82236060
(3-methylthiophen-2-yl)-pyridin-2-ylmethanamine
CID 79989254
(5-methylthiophen-2-yl)-pyridin-3-ylmethanamine
CID 43198853
1-(3-methylthiophen-2-yl)-2-pyridin-3-ylethanol
CID 79987986
ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
CID 145185117
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
(3-methylthiophen-2-yl)-quinolin-8-ylmethanamine
CID 113230034
(3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine
CID 60923509

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-pyridin-3-ylmethanamine?
The IUPAC name of (3-methylthiophen-2-yl)-pyridin-3-ylmethanamine (CID 78973972) is (3-methylthiophen-2-yl)-pyridin-3-ylmethanamine.
What is the SMILES notation for (3-methylthiophen-2-yl)-pyridin-3-ylmethanamine?
The canonical SMILES for (3-methylthiophen-2-yl)-pyridin-3-ylmethanamine is Cc1ccsc1C(N)c1cccnc1.
What is the InChIKey of (3-methylthiophen-2-yl)-pyridin-3-ylmethanamine?
The InChIKey is DKTXEEGHWZVVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-8-4-6-14-11(8)10(12)9-3-2-5-13-7-9/h2-7,10H,12H2,1H3.
What are the key properties of (3-methylthiophen-2-yl)-pyridin-3-ylmethanamine?
(3-methylthiophen-2-yl)-pyridin-3-ylmethanamine has a molecular weight of 204.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-pyridin-3-ylmethanamine is sourced from PubChem (CID 78973972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).