N-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide

C15H18N4O3S — CID 120617186

IUPACN-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1csc(CCN)n1
InChIInChI=1S/C15H18N4O3S/c1-9(20)17-10-3-4-13(22-2)11(7-10)19-15(21)12-8-23-14(18-12)5-6-16/h3-4,7-8H,5-6,16H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyPKOIAUCPSWTQQQ-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.86
Rot. Bonds6

About N-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide

N-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide (PubChem CID 120617186) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
PubChem CID120617186
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1csc(CCN)n1
InChIInChI=1S/C15H18N4O3S/c1-9(20)17-10-3-4-13(22-2)11(7-10)19-15(21)12-8-23-14(18-12)5-6-16/h3-4,7-8H,5-6,16H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyPKOIAUCPSWTQQQ-UHFFFAOYSA-N
XLogP1.86
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 114839656
2-(2-aminoethyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 120622378
2-(2-aminoethyl)-N-(4-fluoro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66389147
2-(2-aminoethyl)-N-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617060
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 42092835
N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16821159
2-(aminomethyl)-N-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66377615
2-(2-aminoethyl)-N-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 120621387
N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 60597278
N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
CID 66376845
2-(2-aminoethyl)-N-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635893
2-(2-aminoethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617100

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide (CID 120617186) is N-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)c1csc(CCN)n1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PKOIAUCPSWTQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-9(20)17-10-3-4-13(22-2)11(7-10)19-15(21)12-8-23-14(18-12)5-6-16/h3-4,7-8H,5-6,16H2,1-2H3,(H,17,20)(H,19,21).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120617186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).