N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide

C16H13ClN4OS2 — CID 4680101

IUPACN-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)Nc1sc(NN=Cc2cccc(Cl)c2)nc1-c1cccs1
InChIInChI=1S/C16H13ClN4OS2/c1-10(22)19-15-14(13-6-3-7-23-13)20-16(24-15)21-18-9-11-4-2-5-12(17)8-11/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeySNNXIDMPRRJETB-UHFFFAOYSA-N
MW376.89 g/mol
LogP4.93
Rot. Bonds5

About N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide

N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide (PubChem CID 4680101) has the molecular formula C16H13ClN4OS2 and a molecular weight of 376.89 g/mol. Its IUPAC name is N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide
PubChem CID4680101
Molecular FormulaC16H13ClN4OS2
Molecular Weight376.89 g/mol
Exact Mass376.02
IUPAC NameN-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)Nc1sc(NN=Cc2cccc(Cl)c2)nc1-c1cccs1
InChIInChI=1S/C16H13ClN4OS2/c1-10(22)19-15-14(13-6-3-7-23-13)20-16(24-15)21-18-9-11-4-2-5-12(17)8-11/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeySNNXIDMPRRJETB-UHFFFAOYSA-N
XLogP4.93
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 54.93
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

N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 3722954
2-chloro-4-[(Z)-[(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822071
4-[(Z)-[(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822239
N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110532549
N-[(Z)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 6103347
N-(5-acetamido-4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 139582756
4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide
CID 5427466
2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide
CID 171981138
methyl N-[(3-chlorophenyl)methylideneamino]carbamate
CID 909415
N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 861899
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110534176
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide (CID 4680101) is N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide is CC(=O)Nc1sc(NN=Cc2cccc(Cl)c2)nc1-c1cccs1.
What is the InChIKey of N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
The InChIKey is SNNXIDMPRRJETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS2/c1-10(22)19-15-14(13-6-3-7-23-13)20-16(24-15)21-18-9-11-4-2-5-12(17)8-11/h2-9H,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide has a molecular weight of 376.89 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 4680101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).