1-[3-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]-N-methylmethanamine

C15H18ClN3S — CID 62281459

IUPAC1-[3-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(N2CCc3sccc3C2C)ccc1Cl
InChIInChI=1S/C15H18ClN3S/c1-10-11-6-8-20-14(11)5-7-19(10)15-4-3-12(16)13(18-15)9-17-2/h3-4,6,8,10,17H,5,7,9H2,1-2H3
InChIKeyHVLCQJDVVVLUCZ-UHFFFAOYSA-N
MW307.85 g/mol
LogP3.64
Rot. Bonds3

About 1-[3-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]-N-methylmethanamine

1-[3-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]-N-methylmethanamine (PubChem CID 62281459) has the molecular formula C15H18ClN3S and a molecular weight of 307.85 g/mol. Its IUPAC name is 1-[3-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]-N-methylmethanamine
PubChem CID62281459
Molecular FormulaC15H18ClN3S
Molecular Weight307.85 g/mol
Exact Mass307.09
IUPAC Name1-[3-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(N2CCc3sccc3C2C)ccc1Cl
InChIInChI=1S/C15H18ClN3S/c1-10-11-6-8-20-14(11)5-7-19(10)15-4-3-12(16)13(18-15)9-17-2/h3-4,6,8,10,17H,5,7,9H2,1-2H3
InChIKeyHVLCQJDVVVLUCZ-UHFFFAOYSA-N
XLogP3.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]-N-methylmethanamine (CID 62281459) is 1-[3-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]-N-methylmethanamine is CNCc1nc(N2CCc3sccc3C2C)ccc1Cl.
What is the InChIKey of 1-[3-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]-N-methylmethanamine?
The InChIKey is HVLCQJDVVVLUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S/c1-10-11-6-8-20-14(11)5-7-19(10)15-4-3-12(16)13(18-15)9-17-2/h3-4,6,8,10,17H,5,7,9H2,1-2H3.
What are the key properties of 1-[3-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]-N-methylmethanamine?
1-[3-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]-N-methylmethanamine has a molecular weight of 307.85 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62281459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).