N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide

C17H18N4OS — CID 71975235

IUPACN-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1nccn1CCCc1ccccc1)c1cscn1
InChIInChI=1S/C17H18N4OS/c22-17(15-12-23-13-20-15)19-11-16-18-8-10-21(16)9-4-7-14-5-2-1-3-6-14/h1-3,5-6,8,10,12-13H,4,7,9,11H2,(H,19,22)
InChIKeyCGWZAUHPGYDGHY-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.90
Rot. Bonds7

About N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide

N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 71975235) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID71975235
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1nccn1CCCc1ccccc1)c1cscn1
InChIInChI=1S/C17H18N4OS/c22-17(15-12-23-13-20-15)19-11-16-18-8-10-21(16)9-4-7-14-5-2-1-3-6-14/h1-3,5-6,8,10,12-13H,4,7,9,11H2,(H,19,22)
InChIKeyCGWZAUHPGYDGHY-UHFFFAOYSA-N
XLogP2.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide (CID 71975235) is N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1nccn1CCCc1ccccc1)c1cscn1.
What is the InChIKey of N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CGWZAUHPGYDGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c22-17(15-12-23-13-20-15)19-11-16-18-8-10-21(16)9-4-7-14-5-2-1-3-6-14/h1-3,5-6,8,10,12-13H,4,7,9,11H2,(H,19,22).
What are the key properties of N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71975235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).