5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide

C17H15N5O3S — CID 46234817

IUPAC5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2sc(Nc3ccncc3)nc2C(N)=O)cc1
InChIInChI=1S/C17H15N5O3S/c1-25-12-4-2-10(3-5-12)15(24)22-16-13(14(18)23)21-17(26-16)20-11-6-8-19-9-7-11/h2-9H,1H3,(H2,18,23)(H,22,24)(H,19,20,21)
InChIKeyOLDFSLLCBPGIEK-UHFFFAOYSA-N
MW369.41 g/mol
LogP2.64
Rot. Bonds6

About 5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide

5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 46234817) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is 5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID46234817
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC Name5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2sc(Nc3ccncc3)nc2C(N)=O)cc1
InChIInChI=1S/C17H15N5O3S/c1-25-12-4-2-10(3-5-12)15(24)22-16-13(14(18)23)21-17(26-16)20-11-6-8-19-9-7-11/h2-9H,1H3,(H2,18,23)(H,22,24)(H,19,20,21)
InChIKeyOLDFSLLCBPGIEK-UHFFFAOYSA-N
XLogP2.64
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide (CID 46234817) is 5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide is COc1ccc(C(=O)Nc2sc(Nc3ccncc3)nc2C(N)=O)cc1.
What is the InChIKey of 5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is OLDFSLLCBPGIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c1-25-12-4-2-10(3-5-12)15(24)22-16-13(14(18)23)21-17(26-16)20-11-6-8-19-9-7-11/h2-9H,1H3,(H2,18,23)(H,22,24)(H,19,20,21).
What are the key properties of 5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide?
5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 369.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46234817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).