N-[1-(1-methylimidazol-2-yl)ethyl]-2-(1,3-thiazol-4-yl)acetamide

C11H14N4OS — CID 110472636

IUPACN-[1-(1-methylimidazol-2-yl)ethyl]-2-(1,3-thiazol-4-yl)acetamide
SMILESCC(NC(=O)Cc1cscn1)c1nccn1C
InChIInChI=1S/C11H14N4OS/c1-8(11-12-3-4-15(11)2)14-10(16)5-9-6-17-7-13-9/h3-4,6-8H,5H2,1-2H3,(H,14,16)
InChIKeyMEDVPMOVRMXLCZ-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.30
Rot. Bonds4

About N-[1-(1-methylimidazol-2-yl)ethyl]-2-(1,3-thiazol-4-yl)acetamide

N-[1-(1-methylimidazol-2-yl)ethyl]-2-(1,3-thiazol-4-yl)acetamide (PubChem CID 110472636) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-[1-(1-methylimidazol-2-yl)ethyl]-2-(1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1-methylimidazol-2-yl)ethyl]-2-(1,3-thiazol-4-yl)acetamide
PubChem CID110472636
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-[1-(1-methylimidazol-2-yl)ethyl]-2-(1,3-thiazol-4-yl)acetamide
SMILESCC(NC(=O)Cc1cscn1)c1nccn1C
InChIInChI=1S/C11H14N4OS/c1-8(11-12-3-4-15(11)2)14-10(16)5-9-6-17-7-13-9/h3-4,6-8H,5H2,1-2H3,(H,14,16)
InChIKeyMEDVPMOVRMXLCZ-UHFFFAOYSA-N
XLogP1.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[1-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoate
CID 110474175
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 125446155
N-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide
CID 110472606
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
2-(1,3-thiazol-4-yl)acetohydrazide
CID 53297918
N-(2,5-dimethylpyrazol-3-yl)-2-(1,3-thiazol-4-yl)acetamide
CID 110472608
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 125436681
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 122558009
CID 163960954
CID 163960954
N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 63006064
2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]-2-phenylpropanamide
CID 110473236
5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide
CID 106234642

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylimidazol-2-yl)ethyl]-2-(1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[1-(1-methylimidazol-2-yl)ethyl]-2-(1,3-thiazol-4-yl)acetamide (CID 110472636) is N-[1-(1-methylimidazol-2-yl)ethyl]-2-(1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(1-methylimidazol-2-yl)ethyl]-2-(1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[1-(1-methylimidazol-2-yl)ethyl]-2-(1,3-thiazol-4-yl)acetamide is CC(NC(=O)Cc1cscn1)c1nccn1C.
What is the InChIKey of N-[1-(1-methylimidazol-2-yl)ethyl]-2-(1,3-thiazol-4-yl)acetamide?
The InChIKey is MEDVPMOVRMXLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-8(11-12-3-4-15(11)2)14-10(16)5-9-6-17-7-13-9/h3-4,6-8H,5H2,1-2H3,(H,14,16).
What are the key properties of N-[1-(1-methylimidazol-2-yl)ethyl]-2-(1,3-thiazol-4-yl)acetamide?
N-[1-(1-methylimidazol-2-yl)ethyl]-2-(1,3-thiazol-4-yl)acetamide has a molecular weight of 250.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylimidazol-2-yl)ethyl]-2-(1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 110472636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).