N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide

C17H16N4O2S — CID 155558865

IUPACN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide
SMILESCC(N)c1csc(NC(=O)c2cccnc2Oc2ccccc2)n1
InChIInChI=1S/C17H16N4O2S/c1-11(18)14-10-24-17(20-14)21-15(22)13-8-5-9-19-16(13)23-12-6-3-2-4-7-12/h2-11H,18H2,1H3,(H,20,21,22)
InChIKeyOBQWIRYRBIJQNK-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.60
Rot. Bonds5

About N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide (PubChem CID 155558865) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide
PubChem CID155558865
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide
SMILESCC(N)c1csc(NC(=O)c2cccnc2Oc2ccccc2)n1
InChIInChI=1S/C17H16N4O2S/c1-11(18)14-10-24-17(20-14)21-15(22)13-8-5-9-19-16(13)23-12-6-3-2-4-7-12/h2-11H,18H2,1H3,(H,20,21,22)
InChIKeyOBQWIRYRBIJQNK-UHFFFAOYSA-N
XLogP3.60
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 5143831
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CID 18521811
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CID 44391629
CID 44391629
CID 51033561
CID 51033561
CID 60097495
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CID 60097631
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CID 849590
CID 849590

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide?
The IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide (CID 155558865) is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide is CC(N)c1csc(NC(=O)c2cccnc2Oc2ccccc2)n1.
What is the InChIKey of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide?
The InChIKey is OBQWIRYRBIJQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-11(18)14-10-24-17(20-14)21-15(22)13-8-5-9-19-16(13)23-12-6-3-2-4-7-12/h2-11H,18H2,1H3,(H,20,21,22).
What are the key properties of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide?
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 155558865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).