4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide

C12H14N4OS — CID 82431708

IUPAC4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
SMILESCCCc1nc(-c2ccccn2)sc1C(=O)NN
InChIInChI=1S/C12H14N4OS/c1-2-5-8-10(11(17)16-13)18-12(15-8)9-6-3-4-7-14-9/h3-4,6-7H,2,5,13H2,1H3,(H,16,17)
InChIKeyUNBGBNRMRZNWHR-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.76
Rot. Bonds4

About 4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide

4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 82431708) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
PubChem CID82431708
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
SMILESCCCc1nc(-c2ccccn2)sc1C(=O)NN
InChIInChI=1S/C12H14N4OS/c1-2-5-8-10(11(17)16-13)18-12(15-8)9-6-3-4-7-14-9/h3-4,6-7H,2,5,13H2,1H3,(H,16,17)
InChIKeyUNBGBNRMRZNWHR-UHFFFAOYSA-N
XLogP1.76
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
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

4-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
CID 82436326
2-(2-ethoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432610
4-(2-phenylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970731
2-(3-methoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432630
4-[2-(4-methylphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227065
1-(4-hydroxy-2-pyridin-2-yl-1,3-thiazol-5-yl)propan-1-one
CID 136993019
4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227048
methyl 4-[(dimethylamino)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 58504091
3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid
CID 82428678
2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82431851
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82431516

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide (CID 82431708) is 4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide is CCCc1nc(-c2ccccn2)sc1C(=O)NN.
What is the InChIKey of 4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is UNBGBNRMRZNWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-2-5-8-10(11(17)16-13)18-12(15-8)9-6-3-4-7-14-9/h3-4,6-7H,2,5,13H2,1H3,(H,16,17).
What are the key properties of 4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide?
4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 262.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82431708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).