4-(3-methoxyphenyl)-2-[3-methyl-4-[(2-nitrophenyl)methyl]pyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole

C24H24N4O3S2 — CID 140936305

IUPAC4-(3-methoxyphenyl)-2-[3-methyl-4-[(2-nitrophenyl)methyl]pyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole
SMILESCOc1cccc(-c2nc(-n3cc(Cc4ccccc4[N+](=O)[O-])c(C)n3)sc2SC(C)C)c1
InChIInChI=1S/C24H24N4O3S2/c1-15(2)32-23-22(18-9-7-10-20(13-18)31-4)25-24(33-23)27-14-19(16(3)26-27)12-17-8-5-6-11-21(17)28(29)30/h5-11,13-15H,12H2,1-4H3
InChIKeyMRTBDPSCOVVWCW-UHFFFAOYSA-N
MW480.62 g/mol
LogP6.31
Rot. Bonds8

About 4-(3-methoxyphenyl)-2-[3-methyl-4-[(2-nitrophenyl)methyl]pyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole

4-(3-methoxyphenyl)-2-[3-methyl-4-[(2-nitrophenyl)methyl]pyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole (PubChem CID 140936305) has the molecular formula C24H24N4O3S2 and a molecular weight of 480.62 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-[3-methyl-4-[(2-nitrophenyl)methyl]pyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-[3-methyl-4-[(2-nitrophenyl)methyl]pyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole
PubChem CID140936305
Molecular FormulaC24H24N4O3S2
Molecular Weight480.62 g/mol
Exact Mass480.13
IUPAC Name4-(3-methoxyphenyl)-2-[3-methyl-4-[(2-nitrophenyl)methyl]pyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole
SMILESCOc1cccc(-c2nc(-n3cc(Cc4ccccc4[N+](=O)[O-])c(C)n3)sc2SC(C)C)c1
InChIInChI=1S/C24H24N4O3S2/c1-15(2)32-23-22(18-9-7-10-20(13-18)31-4)25-24(33-23)27-14-19(16(3)26-27)12-17-8-5-6-11-21(17)28(29)30/h5-11,13-15H,12H2,1-4H3
InChIKeyMRTBDPSCOVVWCW-UHFFFAOYSA-N
XLogP6.31
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.62
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(3-methoxyphenyl)-2-[3-methyl-4-[(2-nitrophenyl)methyl]pyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole 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 4-(3-methoxyphenyl)-2-[3-methyl-4-[(2-nitrophenyl)methyl]pyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole?
The IUPAC name of 4-(3-methoxyphenyl)-2-[3-methyl-4-[(2-nitrophenyl)methyl]pyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole (CID 140936305) is 4-(3-methoxyphenyl)-2-[3-methyl-4-[(2-nitrophenyl)methyl]pyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-[3-methyl-4-[(2-nitrophenyl)methyl]pyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole?
The canonical SMILES for 4-(3-methoxyphenyl)-2-[3-methyl-4-[(2-nitrophenyl)methyl]pyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole is COc1cccc(-c2nc(-n3cc(Cc4ccccc4[N+](=O)[O-])c(C)n3)sc2SC(C)C)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-[3-methyl-4-[(2-nitrophenyl)methyl]pyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole?
The InChIKey is MRTBDPSCOVVWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S2/c1-15(2)32-23-22(18-9-7-10-20(13-18)31-4)25-24(33-23)27-14-19(16(3)26-27)12-17-8-5-6-11-21(17)28(29)30/h5-11,13-15H,12H2,1-4H3.
What are the key properties of 4-(3-methoxyphenyl)-2-[3-methyl-4-[(2-nitrophenyl)methyl]pyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole?
4-(3-methoxyphenyl)-2-[3-methyl-4-[(2-nitrophenyl)methyl]pyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole has a molecular weight of 480.62 g/mol, XLogP of 6.31, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-[3-methyl-4-[(2-nitrophenyl)methyl]pyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole is sourced from PubChem (CID 140936305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).