(2R)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-5-carboxamide

C20H22N4O3S — CID 137331514

IUPAC(2R)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-5-carboxamide
SMILESCOc1cc(N2CCOCC2)ccc1NC(=O)C1=CN[C@@H](c2cccnc2)S1
InChIInChI=1S/C20H22N4O3S/c1-26-17-11-15(24-7-9-27-10-8-24)4-5-16(17)23-19(25)18-13-22-20(28-18)14-3-2-6-21-12-14/h2-6,11-13,20,22H,7-10H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyOXSZQVTWXFAJDB-HXUWFJFHSA-N
MW398.49 g/mol
LogP2.74
Rot. Bonds5

About (2R)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-5-carboxamide

(2R)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-5-carboxamide (PubChem CID 137331514) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is (2R)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-5-carboxamide
PubChem CID137331514
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name(2R)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-5-carboxamide
SMILESCOc1cc(N2CCOCC2)ccc1NC(=O)C1=CN[C@@H](c2cccnc2)S1
InChIInChI=1S/C20H22N4O3S/c1-26-17-11-15(24-7-9-27-10-8-24)4-5-16(17)23-19(25)18-13-22-20(28-18)14-3-2-6-21-12-14/h2-6,11-13,20,22H,7-10H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyOXSZQVTWXFAJDB-HXUWFJFHSA-N
XLogP2.74
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

IRAK inhibitor 6
CID 44449392
N-[2-Methoxy-4-(4-methyl-1-piperazinyl)phenyl]-2-(3-pyridinyl)-4-thiazolecarboxamide
CID 44449393
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CID 1258683
N-(2,5-diethoxyphenyl)-2-[(2-pyridin-2-ylethyl)thio]acetamide
CID 3275371
N-(2,5-diethoxyphenyl)-3-[(2-pyridin-2-ylethyl)thio]propanamide
CID 4600210
2-[2-(2,5-Diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 5101939
4-[3-[(dimethylamino)methyl]pyrrol-1-yl]-2-(2-piperidin-1-ylethoxy)-N-(3-piperidin-1-ylpropyl)aniline
CID 145979423
N-(2,5-dimethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7222455
N-(2,5-dimethoxyphenyl)-2-((2-oxo-1-(pyridin-2-ylmethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 18581333
N-(2-ethoxyphenyl)-2-((2-oxo-1-(pyridin-4-ylmethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 18581344
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2999880
N-(2-methoxy-5-methylphenyl)-2-((2-oxo-1-(pyridin-3-ylmethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 16032802

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-5-carboxamide?
The IUPAC name of (2R)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-5-carboxamide (CID 137331514) is (2R)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-5-carboxamide.
What is the SMILES notation for (2R)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-5-carboxamide?
The canonical SMILES for (2R)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-5-carboxamide is COc1cc(N2CCOCC2)ccc1NC(=O)C1=CN[C@@H](c2cccnc2)S1.
What is the InChIKey of (2R)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-5-carboxamide?
The InChIKey is OXSZQVTWXFAJDB-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-26-17-11-15(24-7-9-27-10-8-24)4-5-16(17)23-19(25)18-13-22-20(28-18)14-3-2-6-21-12-14/h2-6,11-13,20,22H,7-10H2,1H3,(H,23,25)/t20-/m1/s1.
What are the key properties of (2R)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-5-carboxamide?
(2R)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-5-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 137331514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).