N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide

C17H16N2O2S — CID 838622

IUPACN-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide
SMILESCc1ccc(-c2c(C)s/c(=N\C(=O)c3ccco3)n2C)cc1
InChIInChI=1S/C17H16N2O2S/c1-11-6-8-13(9-7-11)15-12(2)22-17(19(15)3)18-16(20)14-5-4-10-21-14/h4-10H,1-3H3/b18-17-
InChIKeyJSOONLWDVGTLNT-ZCXUNETKSA-N
MW312.39 g/mol
LogP3.70
Rot. Bonds2

About N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide

N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide (PubChem CID 838622) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide
PubChem CID838622
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide
SMILESCc1ccc(-c2c(C)s/c(=N\C(=O)c3ccco3)n2C)cc1
InChIInChI=1S/C17H16N2O2S/c1-11-6-8-13(9-7-11)15-12(2)22-17(19(15)3)18-16(20)14-5-4-10-21-14/h4-10H,1-3H3/b18-17-
InChIKeyJSOONLWDVGTLNT-ZCXUNETKSA-N
XLogP3.70
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-methylbenzamide
CID 126204573
N-[4-(4-bromophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluorobenzamide
CID 126212480
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 4618719
2-[[2-(furan-2-carbonylimino)-4,5-dimethyl-1,3-thiazol-3-yl]methyl]benzoic acid
CID 42795696
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 3316524
2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-nitrobenzamide
CID 126203831
N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 838621
2,4-dichloro-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
CID 126209248
N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide
CID 1021952
3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
CID 1021951
2-[[2-(furan-2-carbonylimino)-5-methyl-1,3-thiazol-3-yl]methyl]benzoic acid
CID 42795860
3-methyl-N-(3-methyl-4,5-diphenyl-1,3-thiazol-2-ylidene)benzamide
CID 126212032

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide?
The IUPAC name of N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide (CID 838622) is N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide.
What is the SMILES notation for N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide?
The canonical SMILES for N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide is Cc1ccc(-c2c(C)s/c(=N\C(=O)c3ccco3)n2C)cc1.
What is the InChIKey of N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide?
The InChIKey is JSOONLWDVGTLNT-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11-6-8-13(9-7-11)15-12(2)22-17(19(15)3)18-16(20)14-5-4-10-21-14/h4-10H,1-3H3/b18-17-.
What are the key properties of N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide?
N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide is sourced from PubChem (CID 838622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).