N-[4-[4-(3-aminophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide

C19H16N6OS — CID 58095220

IUPACN-[4-[4-(3-aminophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc(-c3cccc(N)c3)c(-c3ncc[nH]3)s2)ccn1
InChIInChI=1S/C19H16N6OS/c1-11(26)24-15-10-13(5-6-21-15)19-25-16(12-3-2-4-14(20)9-12)17(27-19)18-22-7-8-23-18/h2-10H,20H2,1H3,(H,22,23)(H,21,24,26)
InChIKeyOZXYJCZUAPTMAC-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.80
Rot. Bonds4

About N-[4-[4-(3-aminophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide

N-[4-[4-(3-aminophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide (PubChem CID 58095220) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[4-[4-(3-aminophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(3-aminophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
PubChem CID58095220
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC NameN-[4-[4-(3-aminophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc(-c3cccc(N)c3)c(-c3ncc[nH]3)s2)ccn1
InChIInChI=1S/C19H16N6OS/c1-11(26)24-15-10-13(5-6-21-15)19-25-16(12-3-2-4-14(20)9-12)17(27-19)18-22-7-8-23-18/h2-10H,20H2,1H3,(H,22,23)(H,21,24,26)
InChIKeyOZXYJCZUAPTMAC-UHFFFAOYSA-N
XLogP3.80
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-aminophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[4-(3-aminophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide (CID 58095220) is N-[4-[4-(3-aminophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[4-(3-aminophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[4-(3-aminophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2nc(-c3cccc(N)c3)c(-c3ncc[nH]3)s2)ccn1.
What is the InChIKey of N-[4-[4-(3-aminophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
The InChIKey is OZXYJCZUAPTMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c1-11(26)24-15-10-13(5-6-21-15)19-25-16(12-3-2-4-14(20)9-12)17(27-19)18-22-7-8-23-18/h2-10H,20H2,1H3,(H,22,23)(H,21,24,26).
What are the key properties of N-[4-[4-(3-aminophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
N-[4-[4-(3-aminophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide has a molecular weight of 376.45 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-aminophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 58095220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).