[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(2-hydrazinyl-4-methyl-4,5-dihydroimidazol-1-yl)methanone

C12H12ClN5OS2 — CID 166372681

IUPAC[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(2-hydrazinyl-4-methyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCC1CN(C(=O)c2csc(-c3ccc(Cl)s3)n2)C(NN)=N1
InChIInChI=1S/C12H12ClN5OS2/c1-6-4-18(12(15-6)17-14)11(19)7-5-20-10(16-7)8-2-3-9(13)21-8/h2-3,5-6H,4,14H2,1H3,(H,15,17)
InChIKeyLZBRQLINFGLWRS-UHFFFAOYSA-N
MW341.85 g/mol
LogP2.19
Rot. Bonds2

About [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(2-hydrazinyl-4-methyl-4,5-dihydroimidazol-1-yl)methanone

[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(2-hydrazinyl-4-methyl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 166372681) has the molecular formula C12H12ClN5OS2 and a molecular weight of 341.85 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(2-hydrazinyl-4-methyl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(2-hydrazinyl-4-methyl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID166372681
Molecular FormulaC12H12ClN5OS2
Molecular Weight341.85 g/mol
Exact Mass341.02
IUPAC Name[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(2-hydrazinyl-4-methyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCC1CN(C(=O)c2csc(-c3ccc(Cl)s3)n2)C(NN)=N1
InChIInChI=1S/C12H12ClN5OS2/c1-6-4-18(12(15-6)17-14)11(19)7-5-20-10(16-7)8-2-3-9(13)21-8/h2-3,5-6H,4,14H2,1H3,(H,15,17)
InChIKeyLZBRQLINFGLWRS-UHFFFAOYSA-N
XLogP2.19
TPSA83.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone
CID 124691936
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119492881
N-tert-butyl-3-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 71879707
ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 78974871
2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 110904430
1-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256568
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 139004678
2-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 47391969
2-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 120574509
2-(5-chlorothiophen-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119389747
2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 119223531
2-(5-chlorothiophen-2-yl)-N-methoxy-N-methyl-1,3-thiazole-4-carboxamide
CID 47391839

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(2-hydrazinyl-4-methyl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(2-hydrazinyl-4-methyl-4,5-dihydroimidazol-1-yl)methanone (CID 166372681) is [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(2-hydrazinyl-4-methyl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(2-hydrazinyl-4-methyl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(2-hydrazinyl-4-methyl-4,5-dihydroimidazol-1-yl)methanone is CC1CN(C(=O)c2csc(-c3ccc(Cl)s3)n2)C(NN)=N1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(2-hydrazinyl-4-methyl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is LZBRQLINFGLWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5OS2/c1-6-4-18(12(15-6)17-14)11(19)7-5-20-10(16-7)8-2-3-9(13)21-8/h2-3,5-6H,4,14H2,1H3,(H,15,17).
What are the key properties of [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(2-hydrazinyl-4-methyl-4,5-dihydroimidazol-1-yl)methanone?
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(2-hydrazinyl-4-methyl-4,5-dihydroimidazol-1-yl)methanone has a molecular weight of 341.85 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(2-hydrazinyl-4-methyl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 166372681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).