5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C18H16N4O4S — CID 71061044

IUPAC5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(N)=O)cc1OC
InChIInChI=1S/C18H16N4O4S/c1-25-12-4-3-11(9-13(12)26-2)16(24)22-18-14(15(19)23)21-17(27-18)10-5-7-20-8-6-10/h3-9H,1-2H3,(H2,19,23)(H,22,24)
InChIKeyIOTVJVOERPUNCA-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.57
Rot. Bonds6

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

5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 71061044) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is 5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID71061044
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC Name5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(N)=O)cc1OC
InChIInChI=1S/C18H16N4O4S/c1-25-12-4-3-11(9-13(12)26-2)16(24)22-18-14(15(19)23)21-17(27-18)10-5-7-20-8-6-10/h3-9H,1-2H3,(H2,19,23)(H,22,24)
InChIKeyIOTVJVOERPUNCA-UHFFFAOYSA-N
XLogP2.57
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 71061044) is 5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is COc1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(N)=O)cc1OC.
What is the InChIKey of 5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is IOTVJVOERPUNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c1-25-12-4-3-11(9-13(12)26-2)16(24)22-18-14(15(19)23)21-17(27-18)10-5-7-20-8-6-10/h3-9H,1-2H3,(H2,19,23)(H,22,24).
What are the key properties of 5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 384.42 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71061044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).