3-(2-methylpropoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide

C20H21N3O2S — CID 108749130

IUPAC3-(2-methylpropoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCC(C)COc1cccc(C(=O)NCc2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C20H21N3O2S/c1-14(2)12-25-18-5-3-4-16(10-18)19(24)22-11-17-13-26-20(23-17)15-6-8-21-9-7-15/h3-10,13-14H,11-12H2,1-2H3,(H,22,24)
InChIKeySXTBFLMAEVSRSC-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.17
Rot. Bonds7

About 3-(2-methylpropoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide

3-(2-methylpropoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 108749130) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID108749130
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name3-(2-methylpropoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCC(C)COc1cccc(C(=O)NCc2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C20H21N3O2S/c1-14(2)12-25-18-5-3-4-16(10-18)19(24)22-11-17-13-26-20(23-17)15-6-8-21-9-7-15/h3-10,13-14H,11-12H2,1-2H3,(H,22,24)
InChIKeySXTBFLMAEVSRSC-UHFFFAOYSA-N
XLogP4.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylcarbamoyl]phenyl] acetate
CID 108749134
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 17164666
2-[4-(2-methylpropoxy)phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42865899
4-butoxy-3-ethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108771163
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide
CID 37425289
N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 86836671
N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958
2-[3-(2-methylpropoxy)phenyl]-N-[(3-phenoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 42866994
3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 34072489
3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 30854706
methyl N-[4-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]phenyl]carbamate
CID 55847451
N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]-4-pyrrol-1-ylbenzamide
CID 108749141

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 3-(2-methylpropoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide (CID 108749130) is 3-(2-methylpropoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide is CC(C)COc1cccc(C(=O)NCc2csc(-c3ccncc3)n2)c1.
What is the InChIKey of 3-(2-methylpropoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is SXTBFLMAEVSRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14(2)12-25-18-5-3-4-16(10-18)19(24)22-11-17-13-26-20(23-17)15-6-8-21-9-7-15/h3-10,13-14H,11-12H2,1-2H3,(H,22,24).
What are the key properties of 3-(2-methylpropoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide?
3-(2-methylpropoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 367.47 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 108749130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).