N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine

C14H19N3S — CID 102613006

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
SMILESCc1cc(CNC(C)c2nccnc2C)sc1C
InChIInChI=1S/C14H19N3S/c1-9-7-13(18-12(9)4)8-17-11(3)14-10(2)15-5-6-16-14/h5-7,11,17H,8H2,1-4H3
InChIKeyOSHSOMGOCVEVPV-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.31
Rot. Bonds4

About N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine

N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine (PubChem CID 102613006) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
PubChem CID102613006
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
SMILESCc1cc(CNC(C)c2nccnc2C)sc1C
InChIInChI=1S/C14H19N3S/c1-9-7-13(18-12(9)4)8-17-11(3)14-10(2)15-5-6-16-14/h5-7,11,17H,8H2,1-4H3
InChIKeyOSHSOMGOCVEVPV-UHFFFAOYSA-N
XLogP3.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Methyl-(5-pyrid-3-ylthien-2-yl)methylamine
CID 11321674
(5-Methyl-thiophen-2-ylmethyl)-pyridin-3-ylmethyl-amine hydrochloride
CID 2975334
[3-(Dimethylamino)propyl][(3-methyl(2-thienyl))methyl](2-pyridylmethyl)amine
CID 25910602
N-[(5-ethylpyridin-2-yl)methyl]-N',N'-dimethyl-N-[(5-methyl-2-thienyl)methyl]ethane-1,2-diamine
CID 46990554
(3R)-N-methyl-1-(2-thiophen-3-yl-4-pyridinyl)pyrrolidin-3-amine
CID 118725538
N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 28430022
1-[6-(Thiophen-3-yl)pyridin-3-yl]methanamine
CID 21362590
N-methyl-(5-pyrid-4-ylthien-2-yl)methylamine
CID 24229745
2,2,6,6-tetramethyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 25911780
[(Pyridin-3-yl)methyl][2-(thiophen-2-yl)ethyl]amine
CID 28473363
N-[(3-methyl-2-thienyl)methyl]-3-(methylthio)-N-(pyridin-2-ylmethyl)butan-1-amine
CID 46986201
N,N-dimethyl-N'-[(3-methyl-2-thienyl)methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 46991953

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine (CID 102613006) is N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine is Cc1cc(CNC(C)c2nccnc2C)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The InChIKey is OSHSOMGOCVEVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-9-7-13(18-12(9)4)8-17-11(3)14-10(2)15-5-6-16-14/h5-7,11,17H,8H2,1-4H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine is sourced from PubChem (CID 102613006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).