N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide

C18H15N3O3S — CID 7780081

IUPACN'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)/C=C/c1ccco1
InChIInChI=1S/C18H15N3O3S/c1-12-16(25-18(19-12)13-6-3-2-4-7-13)17(23)21-20-15(22)10-9-14-8-5-11-24-14/h2-11H,1H3,(H,20,22)(H,21,23)/b10-9+
InChIKeyYNGPSJLUHDIYTJ-MDZDMXLPSA-N
MW353.40 g/mol
LogP3.19
Rot. Bonds4

About N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide

N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide (PubChem CID 7780081) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
PubChem CID7780081
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)/C=C/c1ccco1
InChIInChI=1S/C18H15N3O3S/c1-12-16(25-18(19-12)13-6-3-2-4-7-13)17(23)21-20-15(22)10-9-14-8-5-11-24-14/h2-11H,1H3,(H,20,22)(H,21,23)/b10-9+
InChIKeyYNGPSJLUHDIYTJ-MDZDMXLPSA-N
XLogP3.19
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.19
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

N'-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9418597
4-methyl-2-phenyl-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-thiazole-5-carbohydrazide
CID 26617409
N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 46529259
N'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide
CID 5254255
N'-(4-bromobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439398
N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide
CID 922444
N'-(2-fluorobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970391
4-methyl-N'-(2-naphthalen-2-ylacetyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9418607
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
1-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-3-(1,2,2-trichloroethenyl)urea
CID 2797681
N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 78784342
N-[4-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 25439927

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide (CID 7780081) is N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)/C=C/c1ccco1.
What is the InChIKey of N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is YNGPSJLUHDIYTJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-12-16(25-18(19-12)13-6-3-2-4-7-13)17(23)21-20-15(22)10-9-14-8-5-11-24-14/h2-11H,1H3,(H,20,22)(H,21,23)/b10-9+.
What are the key properties of N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 353.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 7780081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).