5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-pyridin-2-yl-1,2-oxazole-3-carboxamide

C19H15N5O2S — CID 134816824

IUPAC5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(Nc2nc(-c3cc(C(=O)Nc4ccccn4)no3)cs2)cc1
InChIInChI=1S/C19H15N5O2S/c1-12-5-7-13(8-6-12)21-19-22-15(11-27-19)16-10-14(24-26-16)18(25)23-17-4-2-3-9-20-17/h2-11H,1H3,(H,21,22)(H,20,23,25)
InChIKeyVPYFJWFIMHPRKY-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.50
Rot. Bonds5

About 5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-pyridin-2-yl-1,2-oxazole-3-carboxamide

5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-pyridin-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 134816824) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is 5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-pyridin-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
PubChem CID134816824
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC Name5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(Nc2nc(-c3cc(C(=O)Nc4ccccn4)no3)cs2)cc1
InChIInChI=1S/C19H15N5O2S/c1-12-5-7-13(8-6-12)21-19-22-15(11-27-19)16-10-14(24-26-16)18(25)23-17-4-2-3-9-20-17/h2-11H,1H3,(H,21,22)(H,20,23,25)
InChIKeyVPYFJWFIMHPRKY-UHFFFAOYSA-N
XLogP4.50
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
CID 51002828
N-isoquinolin-3-yl-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
CID 51002878
N-(5-methoxy-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
CID 51002883
N-(4-methoxy-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
CID 51002926
4-(3-phenyl-1,2-oxazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 51002927
N-(6-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
CID 51002929
{4-[3-(4-Chloro-phenyl)-isoxazol-5-yl]-thiazol-2-yl}-(4-methyl-pyridin-2-yl)-amine
CID 71608043
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide
CID 11003401
5-[2-(4-methylanilino)thiazol-4-yl]-N-phenyl-isoxazole-3-carboxamide
CID 134816802
5-methyl-N-(4-(pyridin-2-yl)thiazol-2-yl)isoxazole-3-carboxamide
CID 2462544
N-(4-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
CID 51002928
[4-(3-Phenylisoxazol-5-yl)-thiazol-2-yl]-pyridin-4-yl-amine
CID 51002930

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-pyridin-2-yl-1,2-oxazole-3-carboxamide (CID 134816824) is 5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-pyridin-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-pyridin-2-yl-1,2-oxazole-3-carboxamide is Cc1ccc(Nc2nc(-c3cc(C(=O)Nc4ccccn4)no3)cs2)cc1.
What is the InChIKey of 5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is VPYFJWFIMHPRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c1-12-5-7-13(8-6-12)21-19-22-15(11-27-19)16-10-14(24-26-16)18(25)23-17-4-2-3-9-20-17/h2-11H,1H3,(H,21,22)(H,20,23,25).
What are the key properties of 5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-pyridin-2-yl-1,2-oxazole-3-carboxamide?
5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-pyridin-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-pyridin-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 134816824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).