4-[[3-[[4-(dimethylamino)phenyl]methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one

C27H26N6O2S — CID 23964463

IUPAC4-[[3-[[4-(dimethylamino)phenyl]methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(/N=c2\scc(-c3ccco3)n2N=Cc2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C27H26N6O2S/c1-19-25(26(34)33(31(19)4)22-9-6-5-7-10-22)29-27-32(23(18-36-27)24-11-8-16-35-24)28-17-20-12-14-21(15-13-20)30(2)3/h5-18H,1-4H3/b28-17?,29-27-
InChIKeyDWZVQZXZFJWVQB-CBIDTABESA-N
MW498.61 g/mol
LogP4.79
Rot. Bonds6

About 4-[[3-[[4-(dimethylamino)phenyl]methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[[3-[[4-(dimethylamino)phenyl]methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 23964463) has the molecular formula C27H26N6O2S and a molecular weight of 498.61 g/mol. Its IUPAC name is 4-[[3-[[4-(dimethylamino)phenyl]methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[[3-[[4-(dimethylamino)phenyl]methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID23964463
Molecular FormulaC27H26N6O2S
Molecular Weight498.61 g/mol
Exact Mass498.18
IUPAC Name4-[[3-[[4-(dimethylamino)phenyl]methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(/N=c2\scc(-c3ccco3)n2N=Cc2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C27H26N6O2S/c1-19-25(26(34)33(31(19)4)22-9-6-5-7-10-22)29-27-32(23(18-36-27)24-11-8-16-35-24)28-17-20-12-14-21(15-13-20)30(2)3/h5-18H,1-4H3/b28-17?,29-27-
InChIKeyDWZVQZXZFJWVQB-CBIDTABESA-N
XLogP4.79
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[[3-[[4-(dimethylamino)phenyl]methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(furan-2-yl)-3-(naphthalen-1-ylmethylideneamino)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23827136
4-[[3-[(2,3-dihydroxyphenyl)methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 135713273
4-[[3-[(2,5-dimethylphenyl)methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23965760
4-[[4-(3,4-dimethylphenyl)-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23992316
4-[[4-(3-bromophenyl)-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23940081
1,5-dimethyl-4-[[3-[(5-methylfuran-2-yl)methylideneamino]-4-naphthalen-1-yl-1,3-thiazol-2-ylidene]amino]-2-phenylpyrazol-3-one
CID 23936937
4-[[3-[1-(furan-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23737108
1,5-dimethyl-4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-phenylpyrazol-3-one
CID 1498144
4-[[4-(1-benzofuran-2-yl)-3-[(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23995204
N-(2,6-dimethylphenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23988522
4-[[4-(2-bromophenyl)-3-(naphthalen-1-ylmethylideneamino)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23799578
2-[(5R)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 6559364

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[4-(dimethylamino)phenyl]methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[[3-[[4-(dimethylamino)phenyl]methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 23964463) is 4-[[3-[[4-(dimethylamino)phenyl]methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[[3-[[4-(dimethylamino)phenyl]methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[[3-[[4-(dimethylamino)phenyl]methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(/N=c2\scc(-c3ccco3)n2N=Cc2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-[[3-[[4-(dimethylamino)phenyl]methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is DWZVQZXZFJWVQB-CBIDTABESA-N. The full InChI is InChI=1S/C27H26N6O2S/c1-19-25(26(34)33(31(19)4)22-9-6-5-7-10-22)29-27-32(23(18-36-27)24-11-8-16-35-24)28-17-20-12-14-21(15-13-20)30(2)3/h5-18H,1-4H3/b28-17?,29-27-.
What are the key properties of 4-[[3-[[4-(dimethylamino)phenyl]methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[[3-[[4-(dimethylamino)phenyl]methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 498.61 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[4-(dimethylamino)phenyl]methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 23964463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).