2-(ethylamino)-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carboxamide

C12H14N4O2S — CID 75390612

IUPAC2-(ethylamino)-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)Nc2c[nH]c(=O)c(C)c2)s1
InChIInChI=1S/C12H14N4O2S/c1-3-13-12-15-6-9(19-12)11(18)16-8-4-7(2)10(17)14-5-8/h4-6H,3H2,1-2H3,(H,13,15)(H,14,17)(H,16,18)
InChIKeyXBTLISQUKTXFMM-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.82
Rot. Bonds4

About 2-(ethylamino)-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carboxamide

2-(ethylamino)-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 75390612) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-(ethylamino)-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID75390612
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-(ethylamino)-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)Nc2c[nH]c(=O)c(C)c2)s1
InChIInChI=1S/C12H14N4O2S/c1-3-13-12-15-6-9(19-12)11(18)16-8-4-7(2)10(17)14-5-8/h4-6H,3H2,1-2H3,(H,13,15)(H,14,17)(H,16,18)
InChIKeyXBTLISQUKTXFMM-UHFFFAOYSA-N
XLogP1.82
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carboxamide (CID 75390612) is 2-(ethylamino)-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carboxamide is CCNc1ncc(C(=O)Nc2c[nH]c(=O)c(C)c2)s1.
What is the InChIKey of 2-(ethylamino)-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is XBTLISQUKTXFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-3-13-12-15-6-9(19-12)11(18)16-8-4-7(2)10(17)14-5-8/h4-6H,3H2,1-2H3,(H,13,15)(H,14,17)(H,16,18).
What are the key properties of 2-(ethylamino)-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carboxamide?
2-(ethylamino)-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75390612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).