2-(furan-2-yl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide

C20H18N4O3S — CID 51932949

IUPAC2-(furan-2-yl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1[C@H](NC(=O)c1csc(-c2ccco2)n1)c1nccn1C
InChIInChI=1S/C20H18N4O3S/c1-24-10-9-21-18(24)17(13-6-3-4-7-15(13)26-2)23-19(25)14-12-28-20(22-14)16-8-5-11-27-16/h3-12,17H,1-2H3,(H,23,25)/t17-/m0/s1
InChIKeySMLUVKAQPBGFFI-KRWDZBQOSA-N
MW394.46 g/mol
LogP3.66
Rot. Bonds6

About 2-(furan-2-yl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 51932949) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID51932949
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name2-(furan-2-yl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1[C@H](NC(=O)c1csc(-c2ccco2)n1)c1nccn1C
InChIInChI=1S/C20H18N4O3S/c1-24-10-9-21-18(24)17(13-6-3-4-7-15(13)26-2)23-19(25)14-12-28-20(22-14)16-8-5-11-27-16/h3-12,17H,1-2H3,(H,23,25)/t17-/m0/s1
InChIKeySMLUVKAQPBGFFI-KRWDZBQOSA-N
XLogP3.66
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 16668817
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfinylbenzamide
CID 51269524
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
3-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzamide
CID 51269549
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 47014744
2-(methylamino)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide
CID 77084721
4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923268
5-acetamido-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 25367569
3-fluoro-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 40939583
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide
CID 51269492
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 51932949) is 2-(furan-2-yl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is COc1ccccc1[C@H](NC(=O)c1csc(-c2ccco2)n1)c1nccn1C.
What is the InChIKey of 2-(furan-2-yl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SMLUVKAQPBGFFI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-24-10-9-21-18(24)17(13-6-3-4-7-15(13)26-2)23-19(25)14-12-28-20(22-14)16-8-5-11-27-16/h3-12,17H,1-2H3,(H,23,25)/t17-/m0/s1.
What are the key properties of 2-(furan-2-yl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51932949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).