(6S)-3-ethyl-5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-6-(4-methylphenyl)-1,6-dihydropyrimidin-2-one

C21H21N5O2S — CID 42535786

IUPAC(6S)-3-ethyl-5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-6-(4-methylphenyl)-1,6-dihydropyrimidin-2-one
SMILESCCN1C=C(c2csc(N/N=C\c3ccco3)n2)[C@H](c2ccc(C)cc2)NC1=O
InChIInChI=1S/C21H21N5O2S/c1-3-26-12-17(19(24-21(26)27)15-8-6-14(2)7-9-15)18-13-29-20(23-18)25-22-11-16-5-4-10-28-16/h4-13,19H,3H2,1-2H3,(H,23,25)(H,24,27)/b22-11-/t19-/m0/s1
InChIKeyNUQPUVDHKXVEAE-SNINMWPCSA-N
MW407.50 g/mol
LogP4.62
Rot. Bonds6

About (6S)-3-ethyl-5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-6-(4-methylphenyl)-1,6-dihydropyrimidin-2-one

(6S)-3-ethyl-5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-6-(4-methylphenyl)-1,6-dihydropyrimidin-2-one (PubChem CID 42535786) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is (6S)-3-ethyl-5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-6-(4-methylphenyl)-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name(6S)-3-ethyl-5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-6-(4-methylphenyl)-1,6-dihydropyrimidin-2-one
PubChem CID42535786
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC Name(6S)-3-ethyl-5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-6-(4-methylphenyl)-1,6-dihydropyrimidin-2-one
SMILESCCN1C=C(c2csc(N/N=C\c3ccco3)n2)[C@H](c2ccc(C)cc2)NC1=O
InChIInChI=1S/C21H21N5O2S/c1-3-26-12-17(19(24-21(26)27)15-8-6-14(2)7-9-15)18-13-29-20(23-18)25-22-11-16-5-4-10-28-16/h4-13,19H,3H2,1-2H3,(H,23,25)(H,24,27)/b22-11-/t19-/m0/s1
InChIKeyNUQPUVDHKXVEAE-SNINMWPCSA-N
XLogP4.62
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_furan_A(6)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (6S)-3-ethyl-5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-6-(4-methylphenyl)-1,6-dihydropyrimidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-3-ethyl-5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-6-(4-methylphenyl)-1,6-dihydropyrimidin-2-one?
The IUPAC name of (6S)-3-ethyl-5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-6-(4-methylphenyl)-1,6-dihydropyrimidin-2-one (CID 42535786) is (6S)-3-ethyl-5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-6-(4-methylphenyl)-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for (6S)-3-ethyl-5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-6-(4-methylphenyl)-1,6-dihydropyrimidin-2-one?
The canonical SMILES for (6S)-3-ethyl-5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-6-(4-methylphenyl)-1,6-dihydropyrimidin-2-one is CCN1C=C(c2csc(N/N=C\c3ccco3)n2)[C@H](c2ccc(C)cc2)NC1=O.
What is the InChIKey of (6S)-3-ethyl-5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-6-(4-methylphenyl)-1,6-dihydropyrimidin-2-one?
The InChIKey is NUQPUVDHKXVEAE-SNINMWPCSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-3-26-12-17(19(24-21(26)27)15-8-6-14(2)7-9-15)18-13-29-20(23-18)25-22-11-16-5-4-10-28-16/h4-13,19H,3H2,1-2H3,(H,23,25)(H,24,27)/b22-11-/t19-/m0/s1.
What are the key properties of (6S)-3-ethyl-5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-6-(4-methylphenyl)-1,6-dihydropyrimidin-2-one?
(6S)-3-ethyl-5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-6-(4-methylphenyl)-1,6-dihydropyrimidin-2-one has a molecular weight of 407.50 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-ethyl-5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-6-(4-methylphenyl)-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 42535786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).