N-(4-methoxyphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide

C14H17N3O2S — CID 61281225

IUPACN-(4-methoxyphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
SMILESCOc1ccc(NC(=O)CNCc2cnc(C)s2)cc1
InChIInChI=1S/C14H17N3O2S/c1-10-16-8-13(20-10)7-15-9-14(18)17-11-3-5-12(19-2)6-4-11/h3-6,8,15H,7,9H2,1-2H3,(H,17,18)
InChIKeyKLWJHZSIFVDWCY-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.19
Rot. Bonds6

About N-(4-methoxyphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide

N-(4-methoxyphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide (PubChem CID 61281225) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
PubChem CID61281225
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(4-methoxyphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
SMILESCOc1ccc(NC(=O)CNCc2cnc(C)s2)cc1
InChIInChI=1S/C14H17N3O2S/c1-10-16-8-13(20-10)7-15-9-14(18)17-11-3-5-12(19-2)6-4-11/h3-6,8,15H,7,9H2,1-2H3,(H,17,18)
InChIKeyKLWJHZSIFVDWCY-UHFFFAOYSA-N
XLogP2.19
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromothiophen-2-yl)methylamino]-N-(4-methoxyphenyl)acetamide
CID 61012579
N-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 43242497
N-(4-methoxyphenyl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide
CID 62845557
2-(ethylamino)-N-(4-methoxyphenyl)acetamide
CID 2113294
N-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 19164026
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]acetamide
CID 54838346
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea
CID 86842046
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
N-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 61282582
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
N-(4-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)acetamide
CID 104760150
2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
CID 86825779

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide (CID 61281225) is N-(4-methoxyphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide is COc1ccc(NC(=O)CNCc2cnc(C)s2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide?
The InChIKey is KLWJHZSIFVDWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-16-8-13(20-10)7-15-9-14(18)17-11-3-5-12(19-2)6-4-11/h3-6,8,15H,7,9H2,1-2H3,(H,17,18).
What are the key properties of N-(4-methoxyphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide?
N-(4-methoxyphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide has a molecular weight of 291.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide is sourced from PubChem (CID 61281225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).