N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide

C22H22N4O3S — CID 126418695

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCc1csc(CCNC(=O)CC[C@H]2NC(=O)N(c3cccc4ccccc34)C2=O)n1
InChIInChI=1S/C22H22N4O3S/c1-14-13-30-20(24-14)11-12-23-19(27)10-9-17-21(28)26(22(29)25-17)18-8-4-6-15-5-2-3-7-16(15)18/h2-8,13,17H,9-12H2,1H3,(H,23,27)(H,25,29)/t17-/m1/s1
InChIKeyWUJZUZJYPVFNOS-QGZVFWFLSA-N
MW422.51 g/mol
LogP3.17
Rot. Bonds7

About N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 126418695) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID126418695
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCc1csc(CCNC(=O)CC[C@H]2NC(=O)N(c3cccc4ccccc34)C2=O)n1
InChIInChI=1S/C22H22N4O3S/c1-14-13-30-20(24-14)11-12-23-19(27)10-9-17-21(28)26(22(29)25-17)18-8-4-6-15-5-2-3-7-16(15)18/h2-8,13,17H,9-12H2,1H3,(H,23,27)(H,25,29)/t17-/m1/s1
InChIKeyWUJZUZJYPVFNOS-QGZVFWFLSA-N
XLogP3.17
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 124853948
3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 124841892
3-(1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 122169569
N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 110205776
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 124850117
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 124850987
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(quinazolin-4-ylamino)propanamide
CID 110436119
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 39071897
2-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 91641286
3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 110388471
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 39071979
3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110739218

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide (CID 126418695) is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide is Cc1csc(CCNC(=O)CC[C@H]2NC(=O)N(c3cccc4ccccc34)C2=O)n1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is WUJZUZJYPVFNOS-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-14-13-30-20(24-14)11-12-23-19(27)10-9-17-21(28)26(22(29)25-17)18-8-4-6-15-5-2-3-7-16(15)18/h2-8,13,17H,9-12H2,1H3,(H,23,27)(H,25,29)/t17-/m1/s1.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide?
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 422.51 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 126418695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).