N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbohydrazide

C23H23N5O2S — CID 24672388

IUPACN'-(3-ethyl-4-oxoquinazolin-2-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbohydrazide
SMILESCCn1c(NNC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)nc2ccccc2c1=O
InChIInChI=1S/C23H23N5O2S/c1-4-28-22(30)17-7-5-6-8-18(17)25-23(28)27-26-20(29)19-13-31-21(24-19)16-11-9-15(10-12-16)14(2)3/h5-14H,4H2,1-3H3,(H,25,27)(H,26,29)
InChIKeyNZZOPYYHYMHKQC-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.42
Rot. Bonds6

About N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbohydrazide

N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 24672388) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3-ethyl-4-oxoquinazolin-2-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbohydrazide
PubChem CID24672388
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC NameN'-(3-ethyl-4-oxoquinazolin-2-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbohydrazide
SMILESCCn1c(NNC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)nc2ccccc2c1=O
InChIInChI=1S/C23H23N5O2S/c1-4-28-22(30)17-7-5-6-8-18(17)25-23(28)27-26-20(29)19-13-31-21(24-19)16-11-9-15(10-12-16)14(2)3/h5-14H,4H2,1-3H3,(H,25,27)(H,26,29)
InChIKeyNZZOPYYHYMHKQC-UHFFFAOYSA-N
XLogP4.42
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide
CID 134001910
3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-5-carbohydrazide
CID 24598199
5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide
CID 18139325
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-phenylquinoline-4-carbohydrazide
CID 24598204
ethyl N-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]carbamate
CID 36759343
N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,4-dimethylbenzohydrazide
CID 51251526
3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-4-carbohydrazide
CID 24598228
N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide
CID 46554469
N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 24574726
5-ethyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-4-methylthiophene-2-carbohydrazide
CID 18139295
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 24598219
2-(2-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide
CID 55576050

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbohydrazide (CID 24672388) is N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbohydrazide is CCn1c(NNC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)nc2ccccc2c1=O.
What is the InChIKey of N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is NZZOPYYHYMHKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-4-28-22(30)17-7-5-6-8-18(17)25-23(28)27-26-20(29)19-13-31-21(24-19)16-11-9-15(10-12-16)14(2)3/h5-14H,4H2,1-3H3,(H,25,27)(H,26,29).
What are the key properties of N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbohydrazide?
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 433.54 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 24672388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).