2-(2-phenylethylamino)-1,3-thiazole-5-carbohydrazide

C12H14N4OS — CID 156507445

IUPAC2-(2-phenylethylamino)-1,3-thiazole-5-carbohydrazide
SMILESNNC(=O)c1cnc(NCCc2ccccc2)s1
InChIInChI=1S/C12H14N4OS/c13-16-11(17)10-8-15-12(18-10)14-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,13H2,(H,14,15)(H,16,17)
InChIKeyKAAGYDVDEBBYBI-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.40
Rot. Bonds5

About 2-(2-phenylethylamino)-1,3-thiazole-5-carbohydrazide

2-(2-phenylethylamino)-1,3-thiazole-5-carbohydrazide (PubChem CID 156507445) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-(2-phenylethylamino)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(2-phenylethylamino)-1,3-thiazole-5-carbohydrazide
PubChem CID156507445
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-(2-phenylethylamino)-1,3-thiazole-5-carbohydrazide
SMILESNNC(=O)c1cnc(NCCc2ccccc2)s1
InChIInChI=1S/C12H14N4OS/c13-16-11(17)10-8-15-12(18-10)14-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,13H2,(H,14,15)(H,16,17)
InChIKeyKAAGYDVDEBBYBI-UHFFFAOYSA-N
XLogP1.40
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-(3-phenylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 80572360
5-bromo-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 25093341
N-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide
CID 53257808
2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110852278
2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid
CID 130569064
2-tert-butyl-1,3-thiazole-5-carbohydrazide
CID 82423621
2-[(2,2-dimethyl-3-phenylpropanoyl)amino]-N-hydroxy-1,3-thiazole-5-carboxamide
CID 53257804
[4-amino-2-(2-phenylethylamino)-1,3-thiazol-5-yl]-phenylmethanone
CID 71733211
4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxylic acid
CID 4961858
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
[2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone
CID 23442548
5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine
CID 31535225

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylamino)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-(2-phenylethylamino)-1,3-thiazole-5-carbohydrazide (CID 156507445) is 2-(2-phenylethylamino)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-(2-phenylethylamino)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-(2-phenylethylamino)-1,3-thiazole-5-carbohydrazide is NNC(=O)c1cnc(NCCc2ccccc2)s1.
What is the InChIKey of 2-(2-phenylethylamino)-1,3-thiazole-5-carbohydrazide?
The InChIKey is KAAGYDVDEBBYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c13-16-11(17)10-8-15-12(18-10)14-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,13H2,(H,14,15)(H,16,17).
What are the key properties of 2-(2-phenylethylamino)-1,3-thiazole-5-carbohydrazide?
2-(2-phenylethylamino)-1,3-thiazole-5-carbohydrazide has a molecular weight of 262.34 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylamino)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 156507445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).