5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide

C12H15N5OS — CID 106039404

IUPAC5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide
SMILESCc1nc(CCNc2nc(C(N)=O)ccc2N)cs1
InChIInChI=1S/C12H15N5OS/c1-7-16-8(6-19-7)4-5-15-12-9(13)2-3-10(17-12)11(14)18/h2-3,6H,4-5,13H2,1H3,(H2,14,18)(H,15,17)
InChIKeyFKGOURACLSVCNF-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.18
Rot. Bonds5

About 5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide

5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide (PubChem CID 106039404) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide
PubChem CID106039404
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide
SMILESCc1nc(CCNc2nc(C(N)=O)ccc2N)cs1
InChIInChI=1S/C12H15N5OS/c1-7-16-8(6-19-7)4-5-15-12-9(13)2-3-10(17-12)11(14)18/h2-3,6H,4-5,13H2,1H3,(H2,14,18)(H,15,17)
InChIKeyFKGOURACLSVCNF-UHFFFAOYSA-N
XLogP1.18
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide (CID 106039404) is 5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide is Cc1nc(CCNc2nc(C(N)=O)ccc2N)cs1.
What is the InChIKey of 5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide?
The InChIKey is FKGOURACLSVCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-7-16-8(6-19-7)4-5-15-12-9(13)2-3-10(17-12)11(14)18/h2-3,6H,4-5,13H2,1H3,(H2,14,18)(H,15,17).
What are the key properties of 5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide?
5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 106039404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).