2-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide

C17H21N3O2S — CID 51100111

IUPAC2-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1-c1nc(C(=O)NC2CCCN(C)C2)cs1
InChIInChI=1S/C17H21N3O2S/c1-20-9-5-6-12(10-20)18-16(21)14-11-23-17(19-14)13-7-3-4-8-15(13)22-2/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,18,21)
InChIKeyDCGROVJVZVAAPL-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.64
Rot. Bonds4

About 2-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide

2-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 51100111) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID51100111
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1-c1nc(C(=O)NC2CCCN(C)C2)cs1
InChIInChI=1S/C17H21N3O2S/c1-20-9-5-6-12(10-20)18-16(21)14-11-23-17(19-14)13-7-3-4-8-15(13)22-2/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,18,21)
InChIKeyDCGROVJVZVAAPL-UHFFFAOYSA-N
XLogP2.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dimethoxyphenyl)-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 42945606
3-[(3S)-1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124688636
4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 89186292
N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 94828868
6-methyl-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide
CID 47344489
1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 154743864
(4-cyclopropyl-1,4-diazepan-1-yl)-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 49074984
N-cyclopropyl-2-[2-[(2-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866306
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 75203084
N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 110471343
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577837

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide (CID 51100111) is 2-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide is COc1ccccc1-c1nc(C(=O)NC2CCCN(C)C2)cs1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is DCGROVJVZVAAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-20-9-5-6-12(10-20)18-16(21)14-11-23-17(19-14)13-7-3-4-8-15(13)22-2/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,18,21).
What are the key properties of 2-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide?
2-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51100111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).