3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide

C21H24N4OS — CID 125174061

IUPAC3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1cccc(-c2ccc(CN(C)C)cn2)c1)c1nccs1
InChIInChI=1S/C21H24N4OS/c1-4-18(21-22-10-11-27-21)24-20(26)17-7-5-6-16(12-17)19-9-8-15(13-23-19)14-25(2)3/h5-13,18H,4,14H2,1-3H3,(H,24,26)/t18-/m1/s1
InChIKeyGJFSGUUQFAWSLC-GOSISDBHSA-N
MW380.52 g/mol
LogP4.15
Rot. Bonds7

About 3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide

3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide (PubChem CID 125174061) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide
PubChem CID125174061
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1cccc(-c2ccc(CN(C)C)cn2)c1)c1nccs1
InChIInChI=1S/C21H24N4OS/c1-4-18(21-22-10-11-27-21)24-20(26)17-7-5-6-16(12-17)19-9-8-15(13-23-19)14-25(2)3/h5-13,18H,4,14H2,1-3H3,(H,24,26)/t18-/m1/s1
InChIKeyGJFSGUUQFAWSLC-GOSISDBHSA-N
XLogP4.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 122560909
3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide
CID 125158828
3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide
CID 125158827
2-[4-(dimethylamino)phenyl]-N-[1-(1,3-thiazol-2-yl)propyl]acetamide
CID 91765781
2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide
CID 107030803
6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide
CID 103718209
4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide
CID 125440095
3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide
CID 177345259
3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide
CID 114038514
[3-[5-[(dimethylamino)methyl]-2-pyridinyl]phenyl]-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 118761649
2,2-dimethylpropane;3-(5-ethyl-2-pyridinyl)-N-methylbenzamide;prop-1-ene
CID 143772057
3-(5-acetyl-2-pyridinyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 125448468

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide?
The IUPAC name of 3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide (CID 125174061) is 3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide.
What is the SMILES notation for 3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide?
The canonical SMILES for 3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide is CC[C@@H](NC(=O)c1cccc(-c2ccc(CN(C)C)cn2)c1)c1nccs1.
What is the InChIKey of 3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide?
The InChIKey is GJFSGUUQFAWSLC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-4-18(21-22-10-11-27-21)24-20(26)17-7-5-6-16(12-17)19-9-8-15(13-23-19)14-25(2)3/h5-13,18H,4,14H2,1-3H3,(H,24,26)/t18-/m1/s1.
What are the key properties of 3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide?
3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide has a molecular weight of 380.52 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide is sourced from PubChem (CID 125174061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).