N-[(2-methoxyphenyl)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide

C18H23N3O3S — CID 110387463

IUPACN-[(2-methoxyphenyl)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1sc(CN2CCOCC2)nc1C
InChIInChI=1S/C18H23N3O3S/c1-13-17(25-16(20-13)12-21-7-9-24-10-8-21)18(22)19-11-14-5-3-4-6-15(14)23-2/h3-6H,7-12H2,1-2H3,(H,19,22)
InChIKeyOHRZPXPUZYIUFP-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.22
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide

N-[(2-methoxyphenyl)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110387463) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID110387463
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1sc(CN2CCOCC2)nc1C
InChIInChI=1S/C18H23N3O3S/c1-13-17(25-16(20-13)12-21-7-9-24-10-8-21)18(22)19-11-14-5-3-4-6-15(14)23-2/h3-6H,7-12H2,1-2H3,(H,19,22)
InChIKeyOHRZPXPUZYIUFP-UHFFFAOYSA-N
XLogP2.22
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chlorophenoxy)methyl]-4-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 46655489
N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26734258
4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387446
4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110387457
N-[(2-methoxyphenyl)methyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676639
N-[(2-methoxyphenyl)methyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084292
N-[(2-methoxyphenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365354
2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55899827
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39160777
4-methyl-2-(morpholin-4-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387444
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9390698
1-(2-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869107

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide (CID 110387463) is N-[(2-methoxyphenyl)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide is COc1ccccc1CNC(=O)c1sc(CN2CCOCC2)nc1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OHRZPXPUZYIUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13-17(25-16(20-13)12-21-7-9-24-10-8-21)18(22)19-11-14-5-3-4-6-15(14)23-2/h3-6H,7-12H2,1-2H3,(H,19,22).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
N-[(2-methoxyphenyl)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110387463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).