N-[4-[2-[2-(benzimidazol-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

C18H21N5O2S — CID 47928469

IUPACN-[4-[2-[2-(benzimidazol-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)NCCn2cnc3ccccc32)cs1
InChIInChI=1S/C18H21N5O2S/c1-12(2)17(25)22-18-21-13(10-26-18)9-16(24)19-7-8-23-11-20-14-5-3-4-6-15(14)23/h3-6,10-12H,7-9H2,1-2H3,(H,19,24)(H,21,22,25)
InChIKeyUTWDHDDZWCWYQX-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.45
Rot. Bonds7

About N-[4-[2-[2-(benzimidazol-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

N-[4-[2-[2-(benzimidazol-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 47928469) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-[4-[2-[2-(benzimidazol-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[2-(benzimidazol-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID47928469
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-[4-[2-[2-(benzimidazol-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)NCCn2cnc3ccccc32)cs1
InChIInChI=1S/C18H21N5O2S/c1-12(2)17(25)22-18-21-13(10-26-18)9-16(24)19-7-8-23-11-20-14-5-3-4-6-15(14)23/h3-6,10-12H,7-9H2,1-2H3,(H,19,24)(H,21,22,25)
InChIKeyUTWDHDDZWCWYQX-UHFFFAOYSA-N
XLogP2.45
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[4-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]propanamide
CID 87001024
N-[2-(benzimidazol-1-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide
CID 51998470
N-[2-(benzimidazol-1-yl)ethyl]thiophene-2-carboxamide
CID 51091236
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47929228
N-[4-[2-(benzimidazol-1-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41377838
N-[4-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55849804
N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 119627196
N-[4-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 112832495
2-methyl-N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide
CID 87002042
N-[2-(benzimidazol-1-yl)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 47069211
N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55827901

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(benzimidazol-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-[2-(benzimidazol-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 47928469) is N-[4-[2-[2-(benzimidazol-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-[2-(benzimidazol-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-[2-(benzimidazol-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc(CC(=O)NCCn2cnc3ccccc32)cs1.
What is the InChIKey of N-[4-[2-[2-(benzimidazol-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is UTWDHDDZWCWYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-12(2)17(25)22-18-21-13(10-26-18)9-16(24)19-7-8-23-11-20-14-5-3-4-6-15(14)23/h3-6,10-12H,7-9H2,1-2H3,(H,19,24)(H,21,22,25).
What are the key properties of N-[4-[2-[2-(benzimidazol-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-[2-[2-(benzimidazol-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 371.47 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(benzimidazol-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 47928469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).