N-[(5-methylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine

C14H19N3S — CID 71929222

IUPACN-[(5-methylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
SMILESCc1ccc(CNCC2CCCn3ccnc32)s1
InChIInChI=1S/C14H19N3S/c1-11-4-5-13(18-11)10-15-9-12-3-2-7-17-8-6-16-14(12)17/h4-6,8,12,15H,2-3,7,9-10H2,1H3
InChIKeyWMBSDTQCSJZMNG-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.92
Rot. Bonds4

About N-[(5-methylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine

N-[(5-methylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine (PubChem CID 71929222) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
PubChem CID71929222
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
SMILESCc1ccc(CNCC2CCCn3ccnc32)s1
InChIInChI=1S/C14H19N3S/c1-11-4-5-13(18-11)10-15-9-12-3-2-7-17-8-6-16-14(12)17/h4-6,8,12,15H,2-3,7,9-10H2,1H3
InChIKeyWMBSDTQCSJZMNG-UHFFFAOYSA-N
XLogP2.92
TPSA29.85 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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine (CID 71929222) is N-[(5-methylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine is Cc1ccc(CNCC2CCCn3ccnc32)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
The InChIKey is WMBSDTQCSJZMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-11-4-5-13(18-11)10-15-9-12-3-2-7-17-8-6-16-14(12)17/h4-6,8,12,15H,2-3,7,9-10H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
N-[(5-methylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine has a molecular weight of 261.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine is sourced from PubChem (CID 71929222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).