N'-[5-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboximidamide

C22H22N6OS — CID 171354027

IUPACN'-[5-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboximidamide
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2)sc1-c1nnc(/N=C(\N)c2cccnc2)o1
InChIInChI=1S/C22H22N6OS/c1-13-17(30-20(25-13)14-7-9-16(10-8-14)22(2,3)4)19-27-28-21(29-19)26-18(23)15-6-5-11-24-12-15/h5-12H,1-4H3,(H2,23,26,28)
InChIKeyHPJBMBPYPAAMMM-UHFFFAOYSA-N
MW418.53 g/mol
LogP4.90
Rot. Bonds4

About N'-[5-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboximidamide

N'-[5-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboximidamide (PubChem CID 171354027) has the molecular formula C22H22N6OS and a molecular weight of 418.53 g/mol. Its IUPAC name is N'-[5-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[5-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboximidamide
PubChem CID171354027
Molecular FormulaC22H22N6OS
Molecular Weight418.53 g/mol
Exact Mass418.16
IUPAC NameN'-[5-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboximidamide
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2)sc1-c1nnc(/N=C(\N)c2cccnc2)o1
InChIInChI=1S/C22H22N6OS/c1-13-17(30-20(25-13)14-7-9-16(10-8-14)22(2,3)4)19-27-28-21(29-19)26-18(23)15-6-5-11-24-12-15/h5-12H,1-4H3,(H2,23,26,28)
InChIKeyHPJBMBPYPAAMMM-UHFFFAOYSA-N
XLogP4.90
TPSA103.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[5-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 127050732
2-(4-methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127050739
cis-(1S,2R)-2-N-[5-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-oxadiazol-2-yl]cyclohexane-1,2-diamine
CID 162674790
2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427139
2-ethyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 71563462
N'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzenecarboximidamide
CID 13381406
3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline
CID 116885240
1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61280917
4-methyl-5-(2-pyrazin-2-ylpyrimidin-4-yl)-2-pyridin-3-yl-1,3-thiazole
CID 58416167
(E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-imine
CID 118081776
2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 82093697
4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile
CID 165447959

Frequently Asked Questions

What is the IUPAC name of N'-[5-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboximidamide?
The IUPAC name of N'-[5-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboximidamide (CID 171354027) is N'-[5-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboximidamide.
What is the SMILES notation for N'-[5-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboximidamide?
The canonical SMILES for N'-[5-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboximidamide is Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1-c1nnc(/N=C(\N)c2cccnc2)o1.
What is the InChIKey of N'-[5-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboximidamide?
The InChIKey is HPJBMBPYPAAMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6OS/c1-13-17(30-20(25-13)14-7-9-16(10-8-14)22(2,3)4)19-27-28-21(29-19)26-18(23)15-6-5-11-24-12-15/h5-12H,1-4H3,(H2,23,26,28).
What are the key properties of N'-[5-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboximidamide?
N'-[5-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboximidamide has a molecular weight of 418.53 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboximidamide is sourced from PubChem (CID 171354027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).