N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide

C17H18N6O2S — CID 26782330

IUPACN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)c2sc(-c3ccccn3)nc2C)n1
InChIInChI=1S/C17H18N6O2S/c1-10-8-11(2)23(22-10)9-14(24)20-21-16(25)15-12(3)19-17(26-15)13-6-4-5-7-18-13/h4-8H,9H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyAKRPELALLPMTHM-UHFFFAOYSA-N
MW370.44 g/mol
LogP1.79
Rot. Bonds4

About N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 26782330) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
PubChem CID26782330
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)c2sc(-c3ccccn3)nc2C)n1
InChIInChI=1S/C17H18N6O2S/c1-10-8-11(2)23(22-10)9-14(24)20-21-16(25)15-12(3)19-17(26-15)13-6-4-5-7-18-13/h4-8H,9H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyAKRPELALLPMTHM-UHFFFAOYSA-N
XLogP1.79
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
CID 55405847
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
4-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 78816429
4-methyl-2-pyridin-2-yl-N'-(2,4,6-trichlorophenyl)-1,3-thiazole-5-carbohydrazide
CID 26720800
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 125431826
N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26953998
N-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 39084221
N-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 51195541
N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide
CID 9425052
4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9457265
N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138190

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide (CID 26782330) is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide is Cc1cc(C)n(CC(=O)NNC(=O)c2sc(-c3ccccn3)nc2C)n1.
What is the InChIKey of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is AKRPELALLPMTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-10-8-11(2)23(22-10)9-14(24)20-21-16(25)15-12(3)19-17(26-15)13-6-4-5-7-18-13/h4-8H,9H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide?
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 370.44 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 26782330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).