N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thian-4-amine

C13H21N3S — CID 128971697

IUPACN-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thian-4-amine
SMILESc1cn2c(n1)CCC(CNC1CCSCC1)C2
InChIInChI=1S/C13H21N3S/c1-2-13-14-5-6-16(13)10-11(1)9-15-12-3-7-17-8-4-12/h5-6,11-12,15H,1-4,7-10H2
InChIKeyLZXTUZSSHSIGHR-UHFFFAOYSA-N
MW251.40 g/mol
LogP1.93
Rot. Bonds3

About N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thian-4-amine

N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thian-4-amine (PubChem CID 128971697) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thian-4-amine.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thian-4-amine
PubChem CID128971697
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thian-4-amine
SMILESc1cn2c(n1)CCC(CNC1CCSCC1)C2
InChIInChI=1S/C13H21N3S/c1-2-13-14-5-6-16(13)10-11(1)9-15-12-3-7-17-8-4-12/h5-6,11-12,15H,1-4,7-10H2
InChIKeyLZXTUZSSHSIGHR-UHFFFAOYSA-N
XLogP1.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thian-4-amine?
The IUPAC name of N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thian-4-amine (CID 128971697) is N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thian-4-amine.
What is the SMILES notation for N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thian-4-amine?
The canonical SMILES for N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thian-4-amine is c1cn2c(n1)CCC(CNC1CCSCC1)C2.
What is the InChIKey of N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thian-4-amine?
The InChIKey is LZXTUZSSHSIGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-2-13-14-5-6-16(13)10-11(1)9-15-12-3-7-17-8-4-12/h5-6,11-12,15H,1-4,7-10H2.
What are the key properties of N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thian-4-amine?
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thian-4-amine has a molecular weight of 251.40 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thian-4-amine is sourced from PubChem (CID 128971697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).