N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C18H17N3O2S — CID 51185664

IUPACN-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCc1csc(NC(=O)CNC(=O)Cc2cccc3ccccc23)n1
InChIInChI=1S/C18H17N3O2S/c1-12-11-24-18(20-12)21-17(23)10-19-16(22)9-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyRXNHARPRNPURQK-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.90
Rot. Bonds5

About N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 51185664) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID51185664
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCc1csc(NC(=O)CNC(=O)Cc2cccc3ccccc23)n1
InChIInChI=1S/C18H17N3O2S/c1-12-11-24-18(20-12)21-17(23)10-19-16(22)9-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyRXNHARPRNPURQK-UHFFFAOYSA-N
XLogP2.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(naphthalen-1-ylmethyl)urea
CID 87008976
2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601339
2-naphthalen-1-yl-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide
CID 55540384
2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110463883
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 47076938
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18134838
N-[3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 58965385
methyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 47299980
2-naphthalen-1-yl-N-[2-oxo-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]acetamide
CID 25356977
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
2-naphthalen-1-yl-N-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]acetamide
CID 16606453

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 51185664) is N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is Cc1csc(NC(=O)CNC(=O)Cc2cccc3ccccc23)n1.
What is the InChIKey of N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is RXNHARPRNPURQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-11-24-18(20-12)21-17(23)10-19-16(22)9-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 339.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 51185664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).