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

C12H12N4OS — CID 82436326

IUPAC4-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
SMILESNNC(=O)c1sc(-c2ccccn2)nc1C1CC1
InChIInChI=1S/C12H12N4OS/c13-16-11(17)10-9(7-4-5-7)15-12(18-10)8-3-1-2-6-14-8/h1-3,6-7H,4-5,13H2,(H,16,17)
InChIKeyPNAKOHLGHQLYRX-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.69
Rot. Bonds3

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

4-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 82436326) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
PubChem CID82436326
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name4-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
SMILESNNC(=O)c1sc(-c2ccccn2)nc1C1CC1
InChIInChI=1S/C12H12N4OS/c13-16-11(17)10-9(7-4-5-7)15-12(18-10)8-3-1-2-6-14-8/h1-3,6-7H,4-5,13H2,(H,16,17)
InChIKeyPNAKOHLGHQLYRX-UHFFFAOYSA-N
XLogP1.69
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.69
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-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
CID 82431708
4-cyclopropyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide
CID 82435959
(4-cyclopropyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanamine
CID 82436315
2-amino-4-cyclopropyl-1,3-thiazole-5-carbohydrazide
CID 58243933
N-[(4-cyclopropyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436305
N-(2-tert-butylcyclohexyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55583530
2-tert-butyl-4-cyclopropyl-1,3-thiazole-5-carbohydrazide
CID 82436995
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 8927968
4-cyclopropyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82436456
4-cyclopropyl-2-(dimethylamino)-1,3-thiazole-5-carbohydrazide
CID 82437972
N-cyclopropyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328901
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137515

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide (CID 82436326) is 4-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide is NNC(=O)c1sc(-c2ccccn2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is PNAKOHLGHQLYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c13-16-11(17)10-9(7-4-5-7)15-12(18-10)8-3-1-2-6-14-8/h1-3,6-7H,4-5,13H2,(H,16,17).
What are the key properties of 4-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide?
4-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 260.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82436326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).