(2R)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide

C16H19N3O3S — CID 95868234

IUPAC(2R)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide
SMILESCOc1cccc(-c2ncc(CNC(=O)[C@H]3CNCCO3)s2)c1
InChIInChI=1S/C16H19N3O3S/c1-21-12-4-2-3-11(7-12)16-19-9-13(23-16)8-18-15(20)14-10-17-5-6-22-14/h2-4,7,9,14,17H,5-6,8,10H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyVKCYPPICPNEARB-CQSZACIVSA-N
MW333.41 g/mol
LogP1.42
Rot. Bonds5

About (2R)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide

(2R)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide (PubChem CID 95868234) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is (2R)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide
PubChem CID95868234
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name(2R)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide
SMILESCOc1cccc(-c2ncc(CNC(=O)[C@H]3CNCCO3)s2)c1
InChIInChI=1S/C16H19N3O3S/c1-21-12-4-2-3-11(7-12)16-19-9-13(23-16)8-18-15(20)14-10-17-5-6-22-14/h2-4,7,9,14,17H,5-6,8,10H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyVKCYPPICPNEARB-CQSZACIVSA-N
XLogP1.42
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

cis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide
CID 133136628
N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide
CID 56892863
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119831068
2-cyclopropyl-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70768557
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]morpholine-2-carboxamide
CID 119816344
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide
CID 119832218
N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 119767529
(2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide
CID 92632288
N-[(2-ethylphenyl)methyl]morpholine-2-carboxamide
CID 64682849
2-methoxy-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82424209
N-[(4-methyl-2-phenoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119811725
(2S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 124847125

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide (CID 95868234) is (2R)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide is COc1cccc(-c2ncc(CNC(=O)[C@H]3CNCCO3)s2)c1.
What is the InChIKey of (2R)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide?
The InChIKey is VKCYPPICPNEARB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-21-12-4-2-3-11(7-12)16-19-9-13(23-16)8-18-15(20)14-10-17-5-6-22-14/h2-4,7,9,14,17H,5-6,8,10H2,1H3,(H,18,20)/t14-/m1/s1.
What are the key properties of (2R)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide?
(2R)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 95868234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).