1-benzyl-N-[[2-(diethylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2-methylimidazole-4-carboxamide

C26H28FN5OS — CID 91145519

IUPAC1-benzyl-N-[[2-(diethylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2-methylimidazole-4-carboxamide
SMILESCCN(CC)c1nc(CN(C(=O)c2cn(Cc3ccccc3)c(C)n2)c2ccc(F)cc2)cs1
InChIInChI=1S/C26H28FN5OS/c1-4-30(5-2)26-29-22(18-34-26)16-32(23-13-11-21(27)12-14-23)25(33)24-17-31(19(3)28-24)15-20-9-7-6-8-10-20/h6-14,17-18H,4-5,15-16H2,1-3H3
InChIKeyYWFUFPHEDWPGSR-UHFFFAOYSA-N
MW477.61 g/mol
LogP5.53
Rot. Bonds9

About 1-benzyl-N-[[2-(diethylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2-methylimidazole-4-carboxamide

1-benzyl-N-[[2-(diethylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2-methylimidazole-4-carboxamide (PubChem CID 91145519) has the molecular formula C26H28FN5OS and a molecular weight of 477.61 g/mol. Its IUPAC name is 1-benzyl-N-[[2-(diethylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[2-(diethylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2-methylimidazole-4-carboxamide
PubChem CID91145519
Molecular FormulaC26H28FN5OS
Molecular Weight477.61 g/mol
Exact Mass477.20
IUPAC Name1-benzyl-N-[[2-(diethylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2-methylimidazole-4-carboxamide
SMILESCCN(CC)c1nc(CN(C(=O)c2cn(Cc3ccccc3)c(C)n2)c2ccc(F)cc2)cs1
InChIInChI=1S/C26H28FN5OS/c1-4-30(5-2)26-29-22(18-34-26)16-32(23-13-11-21(27)12-14-23)25(33)24-17-31(19(3)28-24)15-20-9-7-6-8-10-20/h6-14,17-18H,4-5,15-16H2,1-3H3
InChIKeyYWFUFPHEDWPGSR-UHFFFAOYSA-N
XLogP5.53
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-N-[[2-(diethylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2-methylimidazole-4-carboxamide with MolForge

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Related Compounds

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CID 143694137
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N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide
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(2S)-2-[N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-4-fluoroanilino]-3-phenylpropanamide
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4-N-[[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]methyl]-1-N,1-N-dimethyl-4-N-prop-1-en-2-ylbenzene-1,4-diamine
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[2-(diethylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2-methylimidazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[[2-(diethylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2-methylimidazole-4-carboxamide (CID 91145519) is 1-benzyl-N-[[2-(diethylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2-methylimidazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[2-(diethylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2-methylimidazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[[2-(diethylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2-methylimidazole-4-carboxamide is CCN(CC)c1nc(CN(C(=O)c2cn(Cc3ccccc3)c(C)n2)c2ccc(F)cc2)cs1.
What is the InChIKey of 1-benzyl-N-[[2-(diethylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2-methylimidazole-4-carboxamide?
The InChIKey is YWFUFPHEDWPGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5OS/c1-4-30(5-2)26-29-22(18-34-26)16-32(23-13-11-21(27)12-14-23)25(33)24-17-31(19(3)28-24)15-20-9-7-6-8-10-20/h6-14,17-18H,4-5,15-16H2,1-3H3.
What are the key properties of 1-benzyl-N-[[2-(diethylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2-methylimidazole-4-carboxamide?
1-benzyl-N-[[2-(diethylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2-methylimidazole-4-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 5.53, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[2-(diethylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2-methylimidazole-4-carboxamide is sourced from PubChem (CID 91145519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).