N-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine

C14H19N3S — CID 102612502

IUPACN-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
SMILESCc1nccnc1C(C)NC(C)Cc1ccsc1
InChIInChI=1S/C14H19N3S/c1-10(8-13-4-7-18-9-13)17-12(3)14-11(2)15-5-6-16-14/h4-7,9-10,12,17H,8H2,1-3H3
InChIKeyYQXDSSRXZBWLRR-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.13
Rot. Bonds5

About N-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine

N-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 102612502) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID102612502
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
SMILESCc1nccnc1C(C)NC(C)Cc1ccsc1
InChIInChI=1S/C14H19N3S/c1-10(8-13-4-7-18-9-13)17-12(3)14-11(2)15-5-6-16-14/h4-7,9-10,12,17H,8H2,1-3H3
InChIKeyYQXDSSRXZBWLRR-UHFFFAOYSA-N
XLogP3.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 64990673
N-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine
CID 54952734
1-thiophen-3-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine
CID 61473343
2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
CID 115724134
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54953076
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
CID 61473528
3-methyl-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 83065242
N-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine
CID 104581872
4-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]benzonitrile
CID 61473442
6-methyl-N-(1-thiophen-3-ylpropan-2-yl)pyridin-3-amine
CID 115921558
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 64539318

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine (CID 102612502) is N-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine is Cc1nccnc1C(C)NC(C)Cc1ccsc1.
What is the InChIKey of N-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is YQXDSSRXZBWLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10(8-13-4-7-18-9-13)17-12(3)14-11(2)15-5-6-16-14/h4-7,9-10,12,17H,8H2,1-3H3.
What are the key properties of N-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine?
N-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 102612502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).