N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide

C17H16N4O2S — CID 24832012

IUPACN-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2nc(-c3ccnc(N)c3)cs2)c1
InChIInChI=1S/C17H16N4O2S/c1-23-13-4-2-3-11(7-13)8-16(22)21-17-20-14(10-24-17)12-5-6-19-15(18)9-12/h2-7,9-10H,8H2,1H3,(H2,18,19)(H,20,21,22)
InChIKeyHIGGJLMBFDDVKA-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.98
Rot. Bonds5

About N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide

N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide (PubChem CID 24832012) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
PubChem CID24832012
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2nc(-c3ccnc(N)c3)cs2)c1
InChIInChI=1S/C17H16N4O2S/c1-23-13-4-2-3-11(7-13)8-16(22)21-17-20-14(10-24-17)12-5-6-19-15(18)9-12/h2-7,9-10H,8H2,1H3,(H2,18,19)(H,20,21,22)
InChIKeyHIGGJLMBFDDVKA-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide (CID 24832012) is N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2nc(-c3ccnc(N)c3)cs2)c1.
What is the InChIKey of N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is HIGGJLMBFDDVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-23-13-4-2-3-11(7-13)8-16(22)21-17-20-14(10-24-17)12-5-6-19-15(18)9-12/h2-7,9-10H,8H2,1H3,(H2,18,19)(H,20,21,22).
What are the key properties of N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide?
N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 340.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 24832012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).