2-(3,5-dimethylpyrazol-1-yl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide

C21H24N4O3S — CID 51584307

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)n(-c2nc(C(=O)Nc3ccccc3OC[C@H]3CCCCO3)cs2)n1
InChIInChI=1S/C21H24N4O3S/c1-14-11-15(2)25(24-14)21-23-18(13-29-21)20(26)22-17-8-3-4-9-19(17)28-12-16-7-5-6-10-27-16/h3-4,8-9,11,13,16H,5-7,10,12H2,1-2H3,(H,22,26)/t16-/m1/s1
InChIKeyDEGNKNCIMABBPJ-MRXNPFEDSA-N
MW412.52 g/mol
LogP4.15
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide

2-(3,5-dimethylpyrazol-1-yl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 51584307) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID51584307
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)n(-c2nc(C(=O)Nc3ccccc3OC[C@H]3CCCCO3)cs2)n1
InChIInChI=1S/C21H24N4O3S/c1-14-11-15(2)25(24-14)21-23-18(13-29-21)20(26)22-17-8-3-4-9-19(17)28-12-16-7-5-6-10-27-16/h3-4,8-9,11,13,16H,5-7,10,12H2,1-2H3,(H,22,26)/t16-/m1/s1
InChIKeyDEGNKNCIMABBPJ-MRXNPFEDSA-N
XLogP4.15
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3,5-dimethylpyrazol-1-yl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acetamido-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 51583421
3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide
CID 86835564
3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911417
N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 94647683
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
3-cyclopropyl-N-[2-(oxan-2-ylmethoxy)phenyl]-1-phenylpyrazole-5-carboxamide
CID 166194099
2-(aminomethyl)-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119779493
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide
CID 167985248
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119302619

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide (CID 51584307) is 2-(3,5-dimethylpyrazol-1-yl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide is Cc1cc(C)n(-c2nc(C(=O)Nc3ccccc3OC[C@H]3CCCCO3)cs2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DEGNKNCIMABBPJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-14-11-15(2)25(24-14)21-23-18(13-29-21)20(26)22-17-8-3-4-9-19(17)28-12-16-7-5-6-10-27-16/h3-4,8-9,11,13,16H,5-7,10,12H2,1-2H3,(H,22,26)/t16-/m1/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51584307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).