N'-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]quinoline-8-carbohydrazide

C17H14N4O2S — CID 49201042

IUPACN'-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]quinoline-8-carbohydrazide
SMILESCc1nc(/C=C/C(=O)NNC(=O)c2cccc3cccnc23)cs1
InChIInChI=1S/C17H14N4O2S/c1-11-19-13(10-24-11)7-8-15(22)20-21-17(23)14-6-2-4-12-5-3-9-18-16(12)14/h2-10H,1H3,(H,20,22)(H,21,23)/b8-7+
InChIKeyOZVDQJYBAWXWRM-BQYQJAHWSA-N
MW338.39 g/mol
LogP2.47
Rot. Bonds3

About N'-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]quinoline-8-carbohydrazide

N'-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]quinoline-8-carbohydrazide (PubChem CID 49201042) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is N'-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]quinoline-8-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]quinoline-8-carbohydrazide
PubChem CID49201042
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC NameN'-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]quinoline-8-carbohydrazide
SMILESCc1nc(/C=C/C(=O)NNC(=O)c2cccc3cccnc23)cs1
InChIInChI=1S/C17H14N4O2S/c1-11-19-13(10-24-11)7-8-15(22)20-21-17(23)14-6-2-4-12-5-3-9-18-16(12)14/h2-10H,1H3,(H,20,22)(H,21,23)/b8-7+
InChIKeyOZVDQJYBAWXWRM-BQYQJAHWSA-N
XLogP2.47
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 131237074
2,5-dimethyl-N'-[(E)-3-quinolin-8-ylprop-2-enoyl]furan-3-carbohydrazide
CID 51333730
N'-[(1S,2R)-2-methylcyclopropanecarbonyl]quinoline-8-carbohydrazide
CID 97315545
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 16582919
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide
CID 47140362
methyl 3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 57148702
N-(3-methylphenyl)quinoline-8-carboxamide
CID 30267656
(E)-N-(1H-indazol-7-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 24669358
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
(E)-N-(2-methoxyethoxy)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 79673967
(E)-N-(3-methoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 17423420
2-hydroxy-4-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]benzoic acid
CID 43358317

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]quinoline-8-carbohydrazide?
The IUPAC name of N'-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]quinoline-8-carbohydrazide (CID 49201042) is N'-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]quinoline-8-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]quinoline-8-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]quinoline-8-carbohydrazide is Cc1nc(/C=C/C(=O)NNC(=O)c2cccc3cccnc23)cs1.
What is the InChIKey of N'-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]quinoline-8-carbohydrazide?
The InChIKey is OZVDQJYBAWXWRM-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-11-19-13(10-24-11)7-8-15(22)20-21-17(23)14-6-2-4-12-5-3-9-18-16(12)14/h2-10H,1H3,(H,20,22)(H,21,23)/b8-7+.
What are the key properties of N'-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]quinoline-8-carbohydrazide?
N'-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]quinoline-8-carbohydrazide has a molecular weight of 338.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]quinoline-8-carbohydrazide is sourced from PubChem (CID 49201042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).