N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-chloro-3-pyridinyl)-N-methylmethanamine

C13H12Cl2N4S — CID 56918257

IUPACN-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-chloro-3-pyridinyl)-N-methylmethanamine
SMILESCN(Cc1cccnc1Cl)Cc1c(Cl)nc2sccn12
InChIInChI=1S/C13H12Cl2N4S/c1-18(7-9-3-2-4-16-11(9)14)8-10-12(15)17-13-19(10)5-6-20-13/h2-6H,7-8H2,1H3
InChIKeyQZWUJKOKVWQRQQ-UHFFFAOYSA-N
MW327.24 g/mol
LogP3.73
Rot. Bonds4

About N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-chloro-3-pyridinyl)-N-methylmethanamine

N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-chloro-3-pyridinyl)-N-methylmethanamine (PubChem CID 56918257) has the molecular formula C13H12Cl2N4S and a molecular weight of 327.24 g/mol. Its IUPAC name is N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-chloro-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-chloro-3-pyridinyl)-N-methylmethanamine
PubChem CID56918257
Molecular FormulaC13H12Cl2N4S
Molecular Weight327.24 g/mol
Exact Mass326.02
IUPAC NameN-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-chloro-3-pyridinyl)-N-methylmethanamine
SMILESCN(Cc1cccnc1Cl)Cc1c(Cl)nc2sccn12
InChIInChI=1S/C13H12Cl2N4S/c1-18(7-9-3-2-4-16-11(9)14)8-10-12(15)17-13-19(10)5-6-20-13/h2-6H,7-8H2,1H3
InChIKeyQZWUJKOKVWQRQQ-UHFFFAOYSA-N
XLogP3.73
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-chloro-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-chloro-3-pyridinyl)-N-methylmethanamine (CID 56918257) is N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-chloro-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-chloro-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-chloro-3-pyridinyl)-N-methylmethanamine is CN(Cc1cccnc1Cl)Cc1c(Cl)nc2sccn12.
What is the InChIKey of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-chloro-3-pyridinyl)-N-methylmethanamine?
The InChIKey is QZWUJKOKVWQRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4S/c1-18(7-9-3-2-4-16-11(9)14)8-10-12(15)17-13-19(10)5-6-20-13/h2-6H,7-8H2,1H3.
What are the key properties of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-chloro-3-pyridinyl)-N-methylmethanamine?
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-chloro-3-pyridinyl)-N-methylmethanamine has a molecular weight of 327.24 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-chloro-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 56918257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).