2-(pyridin-2-ylamino)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-4-carbohydrazide

C16H12N8O2S — CID 167945271

IUPAC2-(pyridin-2-ylamino)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNc1nc(-c2ccncc2)no1)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C16H12N8O2S/c25-14(11-9-27-16(19-11)20-12-3-1-2-6-18-12)22-23-15-21-13(24-26-15)10-4-7-17-8-5-10/h1-9H,(H,22,25)(H,18,19,20)(H,21,23,24)
InChIKeyLDATYDVRCHNITI-UHFFFAOYSA-N
MW380.39 g/mol
LogP2.48
Rot. Bonds6

About 2-(pyridin-2-ylamino)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-4-carbohydrazide

2-(pyridin-2-ylamino)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-4-carbohydrazide (PubChem CID 167945271) has the molecular formula C16H12N8O2S and a molecular weight of 380.39 g/mol. Its IUPAC name is 2-(pyridin-2-ylamino)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(pyridin-2-ylamino)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-4-carbohydrazide
PubChem CID167945271
Molecular FormulaC16H12N8O2S
Molecular Weight380.39 g/mol
Exact Mass380.08
IUPAC Name2-(pyridin-2-ylamino)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNc1nc(-c2ccncc2)no1)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C16H12N8O2S/c25-14(11-9-27-16(19-11)20-12-3-1-2-6-18-12)22-23-15-21-13(24-26-15)10-4-7-17-8-5-10/h1-9H,(H,22,25)(H,18,19,20)(H,21,23,24)
InChIKeyLDATYDVRCHNITI-UHFFFAOYSA-N
XLogP2.48
TPSA130.75 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509762
N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509789
N-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509763
N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509772
N-(6-chloro-3-pyridinyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509919
2-(pyridin-2-ylamino)-N-quinolin-8-yl-1,3-thiazole-4-carboxamide
CID 90509900
N-(3-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509804
N-(4-methylsulfonylphenyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509926
ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71778831
N-[3-(difluoromethoxy)phenyl]-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509910
2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 90509881
2-(2-chlorophenyl)-2-methyl-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanehydrazide
CID 166201798

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylamino)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(pyridin-2-ylamino)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-4-carbohydrazide (CID 167945271) is 2-(pyridin-2-ylamino)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(pyridin-2-ylamino)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(pyridin-2-ylamino)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-4-carbohydrazide is O=C(NNc1nc(-c2ccncc2)no1)c1csc(Nc2ccccn2)n1.
What is the InChIKey of 2-(pyridin-2-ylamino)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is LDATYDVRCHNITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N8O2S/c25-14(11-9-27-16(19-11)20-12-3-1-2-6-18-12)22-23-15-21-13(24-26-15)10-4-7-17-8-5-10/h1-9H,(H,22,25)(H,18,19,20)(H,21,23,24).
What are the key properties of 2-(pyridin-2-ylamino)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-4-carbohydrazide?
2-(pyridin-2-ylamino)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 380.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylamino)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 167945271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).