N-[4-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C23H21N5O2S — CID 36890466

IUPACN-[4-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)NCc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C23H21N5O2S/c29-21(25-13-17-5-4-6-18(11-17)14-28-10-9-24-16-28)12-20-15-31-23(26-20)27-22(30)19-7-2-1-3-8-19/h1-11,15-16H,12-14H2,(H,25,29)(H,26,27,30)
InChIKeyJHYBBEUPQKEIPE-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.50
Rot. Bonds8

About N-[4-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 36890466) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[4-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID36890466
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC NameN-[4-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)NCc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C23H21N5O2S/c29-21(25-13-17-5-4-6-18(11-17)14-28-10-9-24-16-28)12-20-15-31-23(26-20)27-22(30)19-7-2-1-3-8-19/h1-11,15-16H,12-14H2,(H,25,29)(H,26,27,30)
InChIKeyJHYBBEUPQKEIPE-UHFFFAOYSA-N
XLogP3.50
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide with MolForge

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Related Compounds

N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841885
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 55636536
N-[4-[2-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55876889
N-[4-[2-(2-naphthalen-1-yloxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 60526142
4-chloro-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567945
N-[4-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55740158
N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229017
benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 18282128
4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41228449
6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 75395653
3-(imidazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49344596
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 36890466) is N-[4-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCc1cccc(Cn2ccnc2)c1.
What is the InChIKey of N-[4-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is JHYBBEUPQKEIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c29-21(25-13-17-5-4-6-18(11-17)14-28-10-9-24-16-28)12-20-15-31-23(26-20)27-22(30)19-7-2-1-3-8-19/h1-11,15-16H,12-14H2,(H,25,29)(H,26,27,30).
What are the key properties of N-[4-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 431.52 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 36890466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).