3-amino-5-(4-chlorophenyl)thiophene-2-carbohydrazide

C11H10ClN3OS — CID 2120328

IUPAC3-amino-5-(4-chlorophenyl)thiophene-2-carbohydrazide
SMILESNNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N
InChIInChI=1S/C11H10ClN3OS/c12-7-3-1-6(2-4-7)9-5-8(13)10(17-9)11(16)15-14/h1-5H,13-14H2,(H,15,16)
InChIKeyMPDFAMPLLOPPNC-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.25
Rot. Bonds2

About 3-amino-5-(4-chlorophenyl)thiophene-2-carbohydrazide

3-amino-5-(4-chlorophenyl)thiophene-2-carbohydrazide (PubChem CID 2120328) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 3-amino-5-(4-chlorophenyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-amino-5-(4-chlorophenyl)thiophene-2-carbohydrazide
PubChem CID2120328
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name3-amino-5-(4-chlorophenyl)thiophene-2-carbohydrazide
SMILESNNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N
InChIInChI=1S/C11H10ClN3OS/c12-7-3-1-6(2-4-7)9-5-8(13)10(17-9)11(16)15-14/h1-5H,13-14H2,(H,15,16)
InChIKeyMPDFAMPLLOPPNC-UHFFFAOYSA-N
XLogP2.25
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-5-(4-chlorophenyl)thiophene-2-carboxamide
CID 2756390
1-[3-Amino-5-(4-chlorophenyl)-2-thienyl]ethanone
CID 2777494
3-Amino-5-phenylthiophene-2-carboxamide
CID 2756534
3-Amino-5-phenylthiophene-2-carbohydrazide
CID 2117574
3-Amino-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 2782903
3-chloro-N'-phenyl-1-benzothiophene-2-carbohydrazide
CID 3322139
2-chloro-N-[2-(hydrazinecarbonyl)thiophen-3-yl]benzamide
CID 2808516
3-Amino-5-(4-fluorophenyl)thiophene-2-carbohydrazide
CID 2110805
3-chloro-N'-(2-ethylphenyl)thiophene-2-carbohydrazide
CID 2811984
2-Amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carbohydrazide
CID 129227546
3-Acetamido-5-(4-chlorophenyl)thiophene-2-carboxamide
CID 9900765
3-Amino-2-benzoyl-5-chlorthiophen
CID 15557507

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-chlorophenyl)thiophene-2-carbohydrazide?
The IUPAC name of 3-amino-5-(4-chlorophenyl)thiophene-2-carbohydrazide (CID 2120328) is 3-amino-5-(4-chlorophenyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 3-amino-5-(4-chlorophenyl)thiophene-2-carbohydrazide?
The canonical SMILES for 3-amino-5-(4-chlorophenyl)thiophene-2-carbohydrazide is NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N.
What is the InChIKey of 3-amino-5-(4-chlorophenyl)thiophene-2-carbohydrazide?
The InChIKey is MPDFAMPLLOPPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c12-7-3-1-6(2-4-7)9-5-8(13)10(17-9)11(16)15-14/h1-5H,13-14H2,(H,15,16).
What are the key properties of 3-amino-5-(4-chlorophenyl)thiophene-2-carbohydrazide?
3-amino-5-(4-chlorophenyl)thiophene-2-carbohydrazide has a molecular weight of 267.74 g/mol, XLogP of 2.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-chlorophenyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 2120328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).