3-(imidazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)benzamide

C15H14N4OS — CID 49344596

IUPAC3-(imidazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cscn1)c1cccc(Cn2ccnc2)c1
InChIInChI=1S/C15H14N4OS/c20-15(17-7-14-9-21-11-18-14)13-3-1-2-12(6-13)8-19-5-4-16-10-19/h1-6,9-11H,7-8H2,(H,17,20)
InChIKeyNRTCARGFYIHNRP-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.32
Rot. Bonds5

About 3-(imidazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)benzamide

3-(imidazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)benzamide (PubChem CID 49344596) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)benzamide
PubChem CID49344596
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name3-(imidazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cscn1)c1cccc(Cn2ccnc2)c1
InChIInChI=1S/C15H14N4OS/c20-15(17-7-14-9-21-11-18-14)13-3-1-2-12(6-13)8-19-5-4-16-10-19/h1-6,9-11H,7-8H2,(H,17,20)
InChIKeyNRTCARGFYIHNRP-UHFFFAOYSA-N
XLogP2.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(imidazol-1-ylmethyl)-N-[(4-methylthiophen-3-yl)methyl]benzamide
CID 154795295
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 55636536
3-(imidazol-1-ylmethyl)benzoate
CID 7219979
4-(imidazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 43921854
4-(imidazol-1-ylmethyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 43918158
N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
CID 155951666
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide
CID 37425289
N-[2-(1-benzofuran-2-yl)ethyl]-3-(imidazol-1-ylmethyl)benzamide
CID 122134954
6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 75395653
N-[4-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 36890466
2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 103755038
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918111

Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)benzamide?
The IUPAC name of 3-(imidazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)benzamide (CID 49344596) is 3-(imidazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)benzamide.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)benzamide?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)benzamide is O=C(NCc1cscn1)c1cccc(Cn2ccnc2)c1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)benzamide?
The InChIKey is NRTCARGFYIHNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c20-15(17-7-14-9-21-11-18-14)13-3-1-2-12(6-13)8-19-5-4-16-10-19/h1-6,9-11H,7-8H2,(H,17,20).
What are the key properties of 3-(imidazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)benzamide?
3-(imidazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)benzamide has a molecular weight of 298.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)benzamide is sourced from PubChem (CID 49344596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).