2-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)quinoline-4-carboxamide

C14H13N5OS — CID 62247287

IUPAC2-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)quinoline-4-carboxamide
SMILESNNc1cc(C(=O)NCc2nccs2)c2ccccc2n1
InChIInChI=1S/C14H13N5OS/c15-19-12-7-10(9-3-1-2-4-11(9)18-12)14(20)17-8-13-16-5-6-21-13/h1-7H,8,15H2,(H,17,20)(H,18,19)
InChIKeyOFNATVAWPBWOKZ-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.91
Rot. Bonds4

About 2-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)quinoline-4-carboxamide

2-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 62247287) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)quinoline-4-carboxamide
PubChem CID62247287
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name2-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)quinoline-4-carboxamide
SMILESNNc1cc(C(=O)NCc2nccs2)c2ccccc2n1
InChIInChI=1S/C14H13N5OS/c15-19-12-7-10(9-3-1-2-4-11(9)18-12)14(20)17-8-13-16-5-6-21-13/h1-7H,8,15H2,(H,17,20)(H,18,19)
InChIKeyOFNATVAWPBWOKZ-UHFFFAOYSA-N
XLogP1.91
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide
CID 63375458
2-hydrazinyl-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 62235922
N-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide
CID 62241412
N-[2-(dimethylamino)propyl]-2-hydrazinylquinoline-4-carboxamide
CID 62247663
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 107025613
2-[2-(1,3-thiazol-2-yl)ethylamino]quinoline-4-carbothioamide
CID 63884768
2-hydrazinyl-N-(1-methylcyclopropyl)quinoline-4-carboxamide
CID 113486009
2-(2-methylanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 15994894
2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 79723692
2-methoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110443918
N-benzyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide
CID 24776658

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)quinoline-4-carboxamide (CID 62247287) is 2-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)quinoline-4-carboxamide is NNc1cc(C(=O)NCc2nccs2)c2ccccc2n1.
What is the InChIKey of 2-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is OFNATVAWPBWOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c15-19-12-7-10(9-3-1-2-4-11(9)18-12)14(20)17-8-13-16-5-6-21-13/h1-7H,8,15H2,(H,17,20)(H,18,19).
What are the key properties of 2-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)quinoline-4-carboxamide?
2-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 62247287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).