2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide

C19H15N5O2S — CID 90562819

IUPAC2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)cs1
InChIInChI=1S/C19H15N5O2S/c1-12-21-16(11-27-12)19(25)22-15-5-3-2-4-14(15)10-17-23-18(24-26-17)13-6-8-20-9-7-13/h2-9,11H,10H2,1H3,(H,22,25)
InChIKeyLEMCNGLUJSXUOF-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.74
Rot. Bonds5

About 2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide

2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 90562819) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is 2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID90562819
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC Name2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)cs1
InChIInChI=1S/C19H15N5O2S/c1-12-21-16(11-27-12)19(25)22-15-5-3-2-4-14(15)10-17-23-18(24-26-17)13-6-8-20-9-7-13/h2-9,11H,10H2,1H3,(H,22,25)
InChIKeyLEMCNGLUJSXUOF-UHFFFAOYSA-N
XLogP3.74
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562852
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazine-2-carboxamide
CID 90562990
5-chloro-6-oxo-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-pyridine-3-carboxamide
CID 90563062
2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 71800533
2,3,4-trifluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563080
4-methyl-3-nitro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562912
2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 65199403
2-phenyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90562946
3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563077
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazine-2-carboxamide
CID 90562098
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90563058
1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563093

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide (CID 90562819) is 2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)cs1.
What is the InChIKey of 2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LEMCNGLUJSXUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c1-12-21-16(11-27-12)19(25)22-15-5-3-2-4-14(15)10-17-23-18(24-26-17)13-6-8-20-9-7-13/h2-9,11H,10H2,1H3,(H,22,25).
What are the key properties of 2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90562819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).