N,N-dimethyl-1-[5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)thiophen-3-yl]methanamine

C13H18N4S — CID 50948902

IUPACN,N-dimethyl-1-[5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)thiophen-3-yl]methanamine
SMILESCN(C)Cc1csc(C2NCCc3[nH]cnc32)c1
InChIInChI=1S/C13H18N4S/c1-17(2)6-9-5-11(18-7-9)13-12-10(3-4-14-13)15-8-16-12/h5,7-8,13-14H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyLYQROINVBVGBLT-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.77
Rot. Bonds3

About N,N-dimethyl-1-[5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)thiophen-3-yl]methanamine

N,N-dimethyl-1-[5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)thiophen-3-yl]methanamine (PubChem CID 50948902) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)thiophen-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)thiophen-3-yl]methanamine
PubChem CID50948902
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN,N-dimethyl-1-[5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)thiophen-3-yl]methanamine
SMILESCN(C)Cc1csc(C2NCCc3[nH]cnc32)c1
InChIInChI=1S/C13H18N4S/c1-17(2)6-9-5-11(18-7-9)13-12-10(3-4-14-13)15-8-16-12/h5,7-8,13-14H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyLYQROINVBVGBLT-UHFFFAOYSA-N
XLogP1.77
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)thiophen-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)thiophen-3-yl]methanamine (CID 50948902) is N,N-dimethyl-1-[5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)thiophen-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)thiophen-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)thiophen-3-yl]methanamine is CN(C)Cc1csc(C2NCCc3[nH]cnc32)c1.
What is the InChIKey of N,N-dimethyl-1-[5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)thiophen-3-yl]methanamine?
The InChIKey is LYQROINVBVGBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-17(2)6-9-5-11(18-7-9)13-12-10(3-4-14-13)15-8-16-12/h5,7-8,13-14H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of N,N-dimethyl-1-[5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)thiophen-3-yl]methanamine?
N,N-dimethyl-1-[5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)thiophen-3-yl]methanamine has a molecular weight of 262.38 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)thiophen-3-yl]methanamine is sourced from PubChem (CID 50948902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).