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

C21H16F3N3O2S — CID 26617409

IUPAC4-methyl-2-phenyl-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H16F3N3O2S/c1-13-18(30-20(25-13)15-5-3-2-4-6-15)19(29)27-26-17(28)12-9-14-7-10-16(11-8-14)21(22,23)24/h2-12H,1H3,(H,26,28)(H,27,29)/b12-9+
InChIKeyKUTVUMSDTPHVMN-FMIVXFBMSA-N
MW431.44 g/mol
LogP4.61
Rot. Bonds4

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

4-methyl-2-phenyl-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 26617409) has the molecular formula C21H16F3N3O2S and a molecular weight of 431.44 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-2-phenyl-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-thiazole-5-carbohydrazide
PubChem CID26617409
Molecular FormulaC21H16F3N3O2S
Molecular Weight431.44 g/mol
Exact Mass431.09
IUPAC Name4-methyl-2-phenyl-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H16F3N3O2S/c1-13-18(30-20(25-13)15-5-3-2-4-6-15)19(29)27-26-17(28)12-9-14-7-10-16(11-8-14)21(22,23)24/h2-12H,1H3,(H,26,28)(H,27,29)/b12-9+
InChIKeyKUTVUMSDTPHVMN-FMIVXFBMSA-N
XLogP4.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7780081
N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 46529259
N'-(2-fluorobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970391
N'-(4-bromobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439398
N-(3-benzamido-2-methylphenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55899419
4-methyl-N'-[2-(3-methylphenoxy)acetyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide
CID 55516245
4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 29368838
N-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30345026
ethyl (E)-3-[4-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoate
CID 27054734
N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 78784342
[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 31700706

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-2-phenyl-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-thiazole-5-carbohydrazide (CID 26617409) is 4-methyl-2-phenyl-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-2-phenyl-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-2-phenyl-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)/C=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-2-phenyl-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is KUTVUMSDTPHVMN-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H16F3N3O2S/c1-13-18(30-20(25-13)15-5-3-2-4-6-15)19(29)27-26-17(28)12-9-14-7-10-16(11-8-14)21(22,23)24/h2-12H,1H3,(H,26,28)(H,27,29)/b12-9+.
What are the key properties of 4-methyl-2-phenyl-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-thiazole-5-carbohydrazide?
4-methyl-2-phenyl-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 431.44 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 26617409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).