2-(methoxymethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,3-thiazole-4-carboxamide

C18H23N3O3S — CID 48591350

IUPAC2-(methoxymethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cs1
InChIInChI=1S/C18H23N3O3S/c1-20(18(22)15-13-25-17(19-15)12-23-2)11-14-5-3-4-6-16(14)21-7-9-24-10-8-21/h3-6,13H,7-12H2,1-2H3
InChIKeyKBXQFNTYGINFGD-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.40
Rot. Bonds6

About 2-(methoxymethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,3-thiazole-4-carboxamide

2-(methoxymethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 48591350) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID48591350
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-(methoxymethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cs1
InChIInChI=1S/C18H23N3O3S/c1-20(18(22)15-13-25-17(19-15)12-23-2)11-14-5-3-4-6-16(14)21-7-9-24-10-8-21/h3-6,13H,7-12H2,1-2H3
InChIKeyKBXQFNTYGINFGD-UHFFFAOYSA-N
XLogP2.40
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,6-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 136533224
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78817892
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]furan-2-carboxamide
CID 38723309
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 46662344
N-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 31645758
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
3-ethoxy-4-methoxy-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 31645741
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(piperidin-1-ylmethyl)benzamide
CID 46977871
N,4-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 24516551
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 55416200
1-hydroxy-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907045
2,2-dimethyl-N-[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]propanamide
CID 31645850

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(methoxymethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 48591350) is 2-(methoxymethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,3-thiazole-4-carboxamide is COCc1nc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cs1.
What is the InChIKey of 2-(methoxymethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KBXQFNTYGINFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-20(18(22)15-13-25-17(19-15)12-23-2)11-14-5-3-4-6-16(14)21-7-9-24-10-8-21/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-(methoxymethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 48591350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).