1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]methanamine

C22H26N4OS — CID 38048603

IUPAC1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]methanamine
SMILESCc1nc(COc2ccc(CNCc3ccc(N4CCCC4)nc3)cc2)cs1
InChIInChI=1S/C22H26N4OS/c1-17-25-20(16-28-17)15-27-21-7-4-18(5-8-21)12-23-13-19-6-9-22(24-14-19)26-10-2-3-11-26/h4-9,14,16,23H,2-3,10-13,15H2,1H3
InChIKeyIHOANBVWHAZUSN-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.32
Rot. Bonds8

About 1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]methanamine

1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]methanamine (PubChem CID 38048603) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is 1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]methanamine
PubChem CID38048603
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]methanamine
SMILESCc1nc(COc2ccc(CNCc3ccc(N4CCCC4)nc3)cc2)cs1
InChIInChI=1S/C22H26N4OS/c1-17-25-20(16-28-17)15-27-21-7-4-18(5-8-21)12-23-13-19-6-9-22(24-14-19)26-10-2-3-11-26/h4-9,14,16,23H,2-3,10-13,15H2,1H3
InChIKeyIHOANBVWHAZUSN-UHFFFAOYSA-N
XLogP4.32
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]methanamine
CID 86884892
N,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine
CID 8851200
2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
CID 110905977
1-(6-piperidin-1-yl-3-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 47039005
N-[(3,5-dimethoxyphenyl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine;hydrochloride
CID 47030650
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
CID 111112628
2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 58112081
2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 80628704
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 36757414
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133317599
N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9046820

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]methanamine?
The IUPAC name of 1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]methanamine (CID 38048603) is 1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]methanamine is Cc1nc(COc2ccc(CNCc3ccc(N4CCCC4)nc3)cc2)cs1.
What is the InChIKey of 1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]methanamine?
The InChIKey is IHOANBVWHAZUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-17-25-20(16-28-17)15-27-21-7-4-18(5-8-21)12-23-13-19-6-9-22(24-14-19)26-10-2-3-11-26/h4-9,14,16,23H,2-3,10-13,15H2,1H3.
What are the key properties of 1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]methanamine?
1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]methanamine has a molecular weight of 394.54 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 38048603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).