2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

C19H18N4O2S — CID 8878410

IUPAC2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(/C=N\Nc2nc(C)c(C(=O)Nc3ccccc3)s2)cc1
InChIInChI=1S/C19H18N4O2S/c1-13-17(18(24)22-15-6-4-3-5-7-15)26-19(21-13)23-20-12-14-8-10-16(25-2)11-9-14/h3-12H,1-2H3,(H,21,23)(H,22,24)/b20-12-
InChIKeyXRQPUNLPPVMDIG-NDENLUEZSA-N
MW366.45 g/mol
LogP4.16
Rot. Bonds6

About 2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 8878410) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID8878410
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(/C=N\Nc2nc(C)c(C(=O)Nc3ccccc3)s2)cc1
InChIInChI=1S/C19H18N4O2S/c1-13-17(18(24)22-15-6-4-3-5-7-15)26-19(21-13)23-20-12-14-8-10-16(25-2)11-9-14/h3-12H,1-2H3,(H,21,23)(H,22,24)/b20-12-
InChIKeyXRQPUNLPPVMDIG-NDENLUEZSA-N
XLogP4.16
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 24939056
methyl 2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 136926687
N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
methyl 2-[(2E)-2-[[4-(furan-2-carbonyloxy)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 110341125
2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3,1-benzothiazin-4-one
CID 4143031
2-[(4-fluorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16897770
2-[1-[2-[2-[[4-(4-methoxyphenyl)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 156787895
methyl 2-[(2E)-2-[[4-(4-fluorobenzoyl)oxyphenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 110341087
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560
2-(dimethylcarbamoylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 110443786
N-(4-methoxyphenyl)-4-methyl-2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
CID 53200115
N-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897056

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (CID 8878410) is 2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is COc1ccc(/C=N\Nc2nc(C)c(C(=O)Nc3ccccc3)s2)cc1.
What is the InChIKey of 2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is XRQPUNLPPVMDIG-NDENLUEZSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-13-17(18(24)22-15-6-4-3-5-7-15)26-19(21-13)23-20-12-14-8-10-16(25-2)11-9-14/h3-12H,1-2H3,(H,21,23)(H,22,24)/b20-12-.
What are the key properties of 2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 8878410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).