N-[[3-(cyanomethoxy)phenyl]methyl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide

C23H17N3O3S — CID 86946512

IUPACN-[[3-(cyanomethoxy)phenyl]methyl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESN#CCOc1cccc(CNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c1
InChIInChI=1S/C23H17N3O3S/c24-11-13-28-18-9-4-6-16(14-18)15-25-22(27)21-20(17-7-2-1-3-8-17)26-23(30-21)19-10-5-12-29-19/h1-10,12,14H,13,15H2,(H,25,27)
InChIKeyJKJNVXVLTLMIIC-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.90
Rot. Bonds7

About N-[[3-(cyanomethoxy)phenyl]methyl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide

N-[[3-(cyanomethoxy)phenyl]methyl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 86946512) has the molecular formula C23H17N3O3S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[[3-(cyanomethoxy)phenyl]methyl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(cyanomethoxy)phenyl]methyl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID86946512
Molecular FormulaC23H17N3O3S
Molecular Weight415.47 g/mol
Exact Mass415.10
IUPAC NameN-[[3-(cyanomethoxy)phenyl]methyl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESN#CCOc1cccc(CNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c1
InChIInChI=1S/C23H17N3O3S/c24-11-13-28-18-9-4-6-16(14-18)15-25-22(27)21-20(17-7-2-1-3-8-17)26-23(30-21)19-10-5-12-29-19/h1-10,12,14H,13,15H2,(H,25,27)
InChIKeyJKJNVXVLTLMIIC-UHFFFAOYSA-N
XLogP4.90
TPSA88.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 86946620
2-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 55585334
2-(furan-2-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 37488570
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55804099
2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 36766447
2-(furan-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 86888875
2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 24503927
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 46528850
4-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 71690167
2-(furan-2-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 56552353
2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119385843
2-(furan-2-yl)-N-(1-methylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 32608675

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyanomethoxy)phenyl]methyl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[3-(cyanomethoxy)phenyl]methyl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide (CID 86946512) is N-[[3-(cyanomethoxy)phenyl]methyl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[3-(cyanomethoxy)phenyl]methyl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[3-(cyanomethoxy)phenyl]methyl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide is N#CCOc1cccc(CNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c1.
What is the InChIKey of N-[[3-(cyanomethoxy)phenyl]methyl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is JKJNVXVLTLMIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3S/c24-11-13-28-18-9-4-6-16(14-18)15-25-22(27)21-20(17-7-2-1-3-8-17)26-23(30-21)19-10-5-12-29-19/h1-10,12,14H,13,15H2,(H,25,27).
What are the key properties of N-[[3-(cyanomethoxy)phenyl]methyl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide?
N-[[3-(cyanomethoxy)phenyl]methyl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyanomethoxy)phenyl]methyl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86946512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).