2-methyl-N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide

C16H24N4O3S — CID 87002042

IUPAC2-methyl-N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)NCCCN2CCCC2=O)cs1
InChIInChI=1S/C16H24N4O3S/c1-11(2)15(23)19-16-18-12(10-24-16)9-13(21)17-6-4-8-20-7-3-5-14(20)22/h10-11H,3-9H2,1-2H3,(H,17,21)(H,18,19,23)
InChIKeySCSQPJPUHJHBQR-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.41
Rot. Bonds8

About 2-methyl-N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide

2-methyl-N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 87002042) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide
PubChem CID87002042
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name2-methyl-N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)NCCCN2CCCC2=O)cs1
InChIInChI=1S/C16H24N4O3S/c1-11(2)15(23)19-16-18-12(10-24-16)9-13(21)17-6-4-8-20-7-3-5-14(20)22/h10-11H,3-9H2,1-2H3,(H,17,21)(H,18,19,23)
InChIKeySCSQPJPUHJHBQR-UHFFFAOYSA-N
XLogP1.41
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
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CID 55849804
N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 119627196
N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 47044907
2-methyl-N-[4-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]propanamide
CID 87001024
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CID 120697209
2-methyl-N-[4-[2-[[(2S)-2-(4-methylpiperidin-1-yl)propyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 52516283
2-[(2-fluorobenzoyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 46114255
(2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 30482285
N-[4-[2-[2-(benzimidazol-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
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(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
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2-[2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide (CID 87002042) is 2-methyl-N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide is CC(C)C(=O)Nc1nc(CC(=O)NCCCN2CCCC2=O)cs1.
What is the InChIKey of 2-methyl-N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is SCSQPJPUHJHBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-11(2)15(23)19-16-18-12(10-24-16)9-13(21)17-6-4-8-20-7-3-5-14(20)22/h10-11H,3-9H2,1-2H3,(H,17,21)(H,18,19,23).
What are the key properties of 2-methyl-N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide?
2-methyl-N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 352.46 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 87002042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).