2-(furan-2-yl)-5-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide

C20H18N4O2S — CID 51934353

IUPAC2-(furan-2-yl)-5-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)N[C@H](c1ccccc1)c1nccn1C
InChIInChI=1S/C20H18N4O2S/c1-13-16(23-20(27-13)15-9-6-12-26-15)19(25)22-17(14-7-4-3-5-8-14)18-21-10-11-24(18)2/h3-12,17H,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyVALQQXXFJHHGGN-QGZVFWFLSA-N
MW378.46 g/mol
LogP3.96
Rot. Bonds5

About 2-(furan-2-yl)-5-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-5-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide (PubChem CID 51934353) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide
PubChem CID51934353
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name2-(furan-2-yl)-5-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)N[C@H](c1ccccc1)c1nccn1C
InChIInChI=1S/C20H18N4O2S/c1-13-16(23-20(27-13)15-9-6-12-26-15)19(25)22-17(14-7-4-3-5-8-14)18-21-10-11-24(18)2/h3-12,17H,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyVALQQXXFJHHGGN-QGZVFWFLSA-N
XLogP3.96
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide
CID 42924153
3,5-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,2-oxazole-4-carboxamide
CID 75459863
2-(methylamino)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide
CID 77084721
2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide
CID 43244788
N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide
CID 90651379
2-(3-chlorophenyl)-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-5-carboxamide
CID 55444393
2-(furan-2-yl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 51932949
(1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 94189098
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 31356926
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide
CID 51269162
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-5-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide (CID 51934353) is 2-(furan-2-yl)-5-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-5-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-5-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide is Cc1sc(-c2ccco2)nc1C(=O)N[C@H](c1ccccc1)c1nccn1C.
What is the InChIKey of 2-(furan-2-yl)-5-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VALQQXXFJHHGGN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-13-16(23-20(27-13)15-9-6-12-26-15)19(25)22-17(14-7-4-3-5-8-14)18-21-10-11-24(18)2/h3-12,17H,1-2H3,(H,22,25)/t17-/m1/s1.
What are the key properties of 2-(furan-2-yl)-5-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-5-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51934353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).