N-(3-methoxyphenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide

C18H16N4O3S — CID 1468225

IUPACN-(3-methoxyphenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2sc(NC(=O)c3ccncc3)nc2C)c1
InChIInChI=1S/C18H16N4O3S/c1-11-15(17(24)21-13-4-3-5-14(10-13)25-2)26-18(20-11)22-16(23)12-6-8-19-9-7-12/h3-10H,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyIIGZTJLWNPWOCM-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.36
Rot. Bonds5

About N-(3-methoxyphenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide

N-(3-methoxyphenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide (PubChem CID 1468225) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide
PubChem CID1468225
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC NameN-(3-methoxyphenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2sc(NC(=O)c3ccncc3)nc2C)c1
InChIInChI=1S/C18H16N4O3S/c1-11-15(17(24)21-13-4-3-5-14(10-13)25-2)26-18(20-11)22-16(23)12-6-8-19-9-7-12/h3-10H,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyIIGZTJLWNPWOCM-UHFFFAOYSA-N
XLogP3.36
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide (CID 1468225) is N-(3-methoxyphenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide is COc1cccc(NC(=O)c2sc(NC(=O)c3ccncc3)nc2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is IIGZTJLWNPWOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-11-15(17(24)21-13-4-3-5-14(10-13)25-2)26-18(20-11)22-16(23)12-6-8-19-9-7-12/h3-10H,1-2H3,(H,21,24)(H,20,22,23).
What are the key properties of N-(3-methoxyphenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide?
N-(3-methoxyphenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1468225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).