N-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C22H18N2O2S — CID 1139470

IUPACN-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccccc1C(=O)N(Cc1ccco1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C22H18N2O2S/c1-16-8-5-6-12-19(16)21(25)24(14-18-11-7-13-26-18)22-23-20(15-27-22)17-9-3-2-4-10-17/h2-13,15H,14H2,1H3
InChIKeyRPCOPLIKTISXRM-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.56
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

N-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 1139470) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID1139470
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccccc1C(=O)N(Cc1ccco1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C22H18N2O2S/c1-16-8-5-6-12-19(16)21(25)24(14-18-11-7-13-26-18)22-23-20(15-27-22)17-9-3-2-4-10-17/h2-13,15H,14H2,1H3
InChIKeyRPCOPLIKTISXRM-UHFFFAOYSA-N
XLogP5.56
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1374213
N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 1139483
N-benzyl-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1175892
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1139482
3-fluoro-N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1374209
N-(furan-2-ylmethyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 1139478
diethyl-[3-[(2-methylbenzoyl)-(4-phenyl-1,3-thiazol-2-yl)amino]propyl]azanium
CID 7124820
3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 3189594
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 1176022
4-tert-butyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide
CID 1176073
5-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 6486849
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide
CID 1176076

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 1139470) is N-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is Cc1ccccc1C(=O)N(Cc1ccco1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is RPCOPLIKTISXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-16-8-5-6-12-19(16)21(25)24(14-18-11-7-13-26-18)22-23-20(15-27-22)17-9-3-2-4-10-17/h2-13,15H,14H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
N-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 374.47 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 1139470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).