N-cyclopropyl-N-[4-[(4-phenylimidazol-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C18H18N4OS — CID 146144310

IUPACN-cyclopropyl-N-[4-[(4-phenylimidazol-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(Cn2cnc(-c3ccccc3)c2)cs1)C1CC1
InChIInChI=1S/C18H18N4OS/c1-13(23)22(16-7-8-16)18-20-15(11-24-18)9-21-10-17(19-12-21)14-5-3-2-4-6-14/h2-6,10-12,16H,7-9H2,1H3
InChIKeyXODFJQOZNYJIIN-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.57
Rot. Bonds5

About N-cyclopropyl-N-[4-[(4-phenylimidazol-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-cyclopropyl-N-[4-[(4-phenylimidazol-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 146144310) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-[(4-phenylimidazol-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-[(4-phenylimidazol-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID146144310
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-cyclopropyl-N-[4-[(4-phenylimidazol-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(Cn2cnc(-c3ccccc3)c2)cs1)C1CC1
InChIInChI=1S/C18H18N4OS/c1-13(23)22(16-7-8-16)18-20-15(11-24-18)9-21-10-17(19-12-21)14-5-3-2-4-6-14/h2-6,10-12,16H,7-9H2,1H3
InChIKeyXODFJQOZNYJIIN-UHFFFAOYSA-N
XLogP3.57
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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N-cyclopropyl-N-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
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CID 120906536
N-[4-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide
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CID 95769661
N-cyclopropyl-N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide
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2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide
CID 126803496
N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide;hydrate
CID 165412295
N-cyclopropyl-N-[4-[[(2-methoxy-5-methyl-3-pyridinyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 75496137
N-cyclopropyl-N-[4-[[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-[(4-phenylimidazol-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[4-[(4-phenylimidazol-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 146144310) is N-cyclopropyl-N-[4-[(4-phenylimidazol-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[4-[(4-phenylimidazol-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[4-[(4-phenylimidazol-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(Cn2cnc(-c3ccccc3)c2)cs1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[4-[(4-phenylimidazol-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XODFJQOZNYJIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-13(23)22(16-7-8-16)18-20-15(11-24-18)9-21-10-17(19-12-21)14-5-3-2-4-6-14/h2-6,10-12,16H,7-9H2,1H3.
What are the key properties of N-cyclopropyl-N-[4-[(4-phenylimidazol-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-cyclopropyl-N-[4-[(4-phenylimidazol-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 338.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-[(4-phenylimidazol-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146144310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).