2-(2-amino-2-oxoethoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

C19H17N3O3S — CID 39448197

IUPAC2-(2-amino-2-oxoethoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccccc3OCC(N)=O)cc2)cs1
InChIInChI=1S/C19H17N3O3S/c1-12-21-16(11-26-12)13-6-8-14(9-7-13)22-19(24)15-4-2-3-5-17(15)25-10-18(20)23/h2-9,11H,10H2,1H3,(H2,20,23)(H,22,24)
InChIKeyVWQMMAXDERBNTI-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.23
Rot. Bonds6

About 2-(2-amino-2-oxoethoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

2-(2-amino-2-oxoethoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 39448197) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID39448197
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name2-(2-amino-2-oxoethoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccccc3OCC(N)=O)cc2)cs1
InChIInChI=1S/C19H17N3O3S/c1-12-21-16(11-26-12)13-6-8-14(9-7-13)22-19(24)15-4-2-3-5-17(15)25-10-18(20)23/h2-9,11H,10H2,1H3,(H2,20,23)(H,22,24)
InChIKeyVWQMMAXDERBNTI-UHFFFAOYSA-N
XLogP3.23
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate
CID 108727336
2-(2-ethoxyphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 27167216
N-(4-carbamoylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17497709
N-(4-acetylphenyl)-2-(2-amino-2-oxoethoxy)benzamide
CID 34795429
N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide
CID 3650326
2-(2-amino-2-oxoethoxy)-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 24660239
2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide
CID 61273443
4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108751389
2-[4-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]phenyl]acetamide
CID 31862065
2-phenoxy-N-[4-[2-[(2-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 4138513
2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide
CID 167960554
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 2-(2-amino-2-oxoethoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 39448197) is 2-(2-amino-2-oxoethoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is Cc1nc(-c2ccc(NC(=O)c3ccccc3OCC(N)=O)cc2)cs1.
What is the InChIKey of 2-(2-amino-2-oxoethoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is VWQMMAXDERBNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-12-21-16(11-26-12)13-6-8-14(9-7-13)22-19(24)15-4-2-3-5-17(15)25-10-18(20)23/h2-9,11H,10H2,1H3,(H2,20,23)(H,22,24).
What are the key properties of 2-(2-amino-2-oxoethoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
2-(2-amino-2-oxoethoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 367.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 39448197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).