2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone

C18H20N4OS — CID 165060497

IUPAC2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone
SMILESCN(C)Cc1csc(CC(=O)c2cccn2Cc2ccncc2)n1
InChIInChI=1S/C18H20N4OS/c1-21(2)12-15-13-24-18(20-15)10-17(23)16-4-3-9-22(16)11-14-5-7-19-8-6-14/h3-9,13H,10-12H2,1-2H3
InChIKeyRCPGXMPHHLJNRB-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.87
Rot. Bonds7

About 2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone

2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone (PubChem CID 165060497) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone
PubChem CID165060497
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone
SMILESCN(C)Cc1csc(CC(=O)c2cccn2Cc2ccncc2)n1
InChIInChI=1S/C18H20N4OS/c1-21(2)12-15-13-24-18(20-15)10-17(23)16-4-3-9-22(16)11-14-5-7-19-8-6-14/h3-9,13H,10-12H2,1-2H3
InChIKeyRCPGXMPHHLJNRB-UHFFFAOYSA-N
XLogP2.87
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone with MolForge

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Related Compounds

2-[4-(1-methylcyclopropyl)-1,3-thiazol-2-yl]-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone
CID 165060327
2-(5-ethyl-1,3-thiazol-2-yl)-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone
CID 165060533
1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone
CID 79106384
2-(5-nitro-1,3-thiazol-2-yl)-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone
CID 165031377
2-(4-propan-2-yl-1,3-oxazol-2-yl)-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone
CID 164966486
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 154694930
N-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 154695420
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 167069410
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 167069411
N-(4-bromo-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 154695040
N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 167069389
1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylmethanamine
CID 122628208

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone?
The IUPAC name of 2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone (CID 165060497) is 2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone is CN(C)Cc1csc(CC(=O)c2cccn2Cc2ccncc2)n1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone?
The InChIKey is RCPGXMPHHLJNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-21(2)12-15-13-24-18(20-15)10-17(23)16-4-3-9-22(16)11-14-5-7-19-8-6-14/h3-9,13H,10-12H2,1-2H3.
What are the key properties of 2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone?
2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone has a molecular weight of 340.45 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone is sourced from PubChem (CID 165060497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).