N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide

C10H15N3O3S — CID 112689477

IUPACN-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
SMILESCOCCNC(=O)CCNC(=O)c1cscn1
InChIInChI=1S/C10H15N3O3S/c1-16-5-4-11-9(14)2-3-12-10(15)8-6-17-7-13-8/h6-7H,2-5H2,1H3,(H,11,14)(H,12,15)
InChIKeyMXCNMPCVTHKLFY-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.03
Rot. Bonds7

About N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide

N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide (PubChem CID 112689477) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
PubChem CID112689477
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC NameN-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
SMILESCOCCNC(=O)CCNC(=O)c1cscn1
InChIInChI=1S/C10H15N3O3S/c1-16-5-4-11-9(14)2-3-12-10(15)8-6-17-7-13-8/h6-7H,2-5H2,1H3,(H,11,14)(H,12,15)
InChIKeyMXCNMPCVTHKLFY-UHFFFAOYSA-N
XLogP0.03
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.03
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

N-(2-methoxyethyl)-3-[1-(1,3-thiazol-4-yl)ethylamino]propanamide
CID 115879102
2-(1,3-thiazole-4-carbonylamino)ethyl carbamate
CID 83205186
N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide
CID 63049091
N-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 114309848
N-butyl-1,3-thiazole-4-carboxamide;ethane
CID 176555037
N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 63038055
N-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide
CID 76982242
11-(1,3-thiazole-4-carbonylamino)undecanoic acid
CID 84556786
2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 42813234
N-(4-bromobutyl)-1,3-thiazole-4-carboxamide
CID 106845763
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
3-[2-(1,3-thiazole-4-carbonylamino)ethylsulfanyl]propanoic acid
CID 115731587

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide (CID 112689477) is N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide is COCCNC(=O)CCNC(=O)c1cscn1.
What is the InChIKey of N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MXCNMPCVTHKLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-16-5-4-11-9(14)2-3-12-10(15)8-6-17-7-13-8/h6-7H,2-5H2,1H3,(H,11,14)(H,12,15).
What are the key properties of N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide?
N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide has a molecular weight of 257.31 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 112689477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).