(2R)-N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide

C17H21N3O4S — CID 167811487

IUPAC(2R)-N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)[C@H]3CNCCO3)sc2C)cc1OC
InChIInChI=1S/C17H21N3O4S/c1-10-15(11-4-5-12(22-2)13(8-11)23-3)19-17(25-10)20-16(21)14-9-18-6-7-24-14/h4-5,8,14,18H,6-7,9H2,1-3H3,(H,19,20,21)/t14-/m1/s1
InChIKeyUOVMNZKIGFWZGR-CQSZACIVSA-N
MW363.44 g/mol
LogP2.06
Rot. Bonds5

About (2R)-N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide

(2R)-N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide (PubChem CID 167811487) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is (2R)-N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide
PubChem CID167811487
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name(2R)-N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)[C@H]3CNCCO3)sc2C)cc1OC
InChIInChI=1S/C17H21N3O4S/c1-10-15(11-4-5-12(22-2)13(8-11)23-3)19-17(25-10)20-16(21)14-9-18-6-7-24-14/h4-5,8,14,18H,6-7,9H2,1-3H3,(H,19,20,21)/t14-/m1/s1
InChIKeyUOVMNZKIGFWZGR-CQSZACIVSA-N
XLogP2.06
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxy-2,3-dimethylphenyl)morpholine-2-carboxamide
CID 115177389
N-(2,4,5-trimethoxyphenyl)morpholine-2-carboxamide
CID 119808138
(2S)-N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 27233014
(2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 40620885
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 1347169
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 48998332
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49164169
2,2,2-trichloro-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 108738227
N-(2,5-dimethoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119674283
(2R)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 27234089
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119677147
N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119729353

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide (CID 167811487) is (2R)-N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide is COc1ccc(-c2nc(NC(=O)[C@H]3CNCCO3)sc2C)cc1OC.
What is the InChIKey of (2R)-N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide?
The InChIKey is UOVMNZKIGFWZGR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-10-15(11-4-5-12(22-2)13(8-11)23-3)19-17(25-10)20-16(21)14-9-18-6-7-24-14/h4-5,8,14,18H,6-7,9H2,1-3H3,(H,19,20,21)/t14-/m1/s1.
What are the key properties of (2R)-N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide?
(2R)-N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 167811487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).