N'-(1,3-benzodioxole-5-carbonyl)-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide

C19H15N3O4S — CID 9084680

IUPACN'-(1,3-benzodioxole-5-carbonyl)-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)s1
InChIInChI=1S/C19H15N3O4S/c1-11-20-16(12-5-3-2-4-6-12)17(27-11)19(24)22-21-18(23)13-7-8-14-15(9-13)26-10-25-14/h2-9H,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyCUBOQTCUQLXYSP-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.92
Rot. Bonds3

About N'-(1,3-benzodioxole-5-carbonyl)-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide

N'-(1,3-benzodioxole-5-carbonyl)-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide (PubChem CID 9084680) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is N'-(1,3-benzodioxole-5-carbonyl)-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(1,3-benzodioxole-5-carbonyl)-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide
PubChem CID9084680
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC NameN'-(1,3-benzodioxole-5-carbonyl)-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)s1
InChIInChI=1S/C19H15N3O4S/c1-11-20-16(12-5-3-2-4-6-12)17(27-11)19(24)22-21-18(23)13-7-8-14-15(9-13)26-10-25-14/h2-9H,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyCUBOQTCUQLXYSP-UHFFFAOYSA-N
XLogP2.92
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide
CID 9086784
N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide
CID 24640496
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115695
N-(1,3-benzodioxol-5-yl)-2-benzyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 24505672
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 847128
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954603
N'-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9020933
N-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 18280337
N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1,3-benzodioxole-5-carbohydrazide
CID 25094943
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 26584758

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzodioxole-5-carbonyl)-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-(1,3-benzodioxole-5-carbonyl)-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide (CID 9084680) is N'-(1,3-benzodioxole-5-carbonyl)-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-(1,3-benzodioxole-5-carbonyl)-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-(1,3-benzodioxole-5-carbonyl)-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccccc2)c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)s1.
What is the InChIKey of N'-(1,3-benzodioxole-5-carbonyl)-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is CUBOQTCUQLXYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c1-11-20-16(12-5-3-2-4-6-12)17(27-11)19(24)22-21-18(23)13-7-8-14-15(9-13)26-10-25-14/h2-9H,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(1,3-benzodioxole-5-carbonyl)-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide?
N'-(1,3-benzodioxole-5-carbonyl)-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 381.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzodioxole-5-carbonyl)-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 9084680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).