N-[5-[2-[(6-chloro-3-pyridinyl)amino]-1,3-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C14H12ClN5O2S — CID 71450453

IUPACN-[5-[2-[(6-chloro-3-pyridinyl)amino]-1,3-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cnc(Nc3ccc(Cl)nc3)o2)s1
InChIInChI=1S/C14H12ClN5O2S/c1-7-12(23-14(18-7)19-8(2)21)10-6-17-13(22-10)20-9-3-4-11(15)16-5-9/h3-6H,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyLNVODDCNVZTONG-UHFFFAOYSA-N
MW349.80 g/mol
LogP3.86
Rot. Bonds4

About N-[5-[2-[(6-chloro-3-pyridinyl)amino]-1,3-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[2-[(6-chloro-3-pyridinyl)amino]-1,3-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 71450453) has the molecular formula C14H12ClN5O2S and a molecular weight of 349.80 g/mol. Its IUPAC name is N-[5-[2-[(6-chloro-3-pyridinyl)amino]-1,3-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-[(6-chloro-3-pyridinyl)amino]-1,3-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID71450453
Molecular FormulaC14H12ClN5O2S
Molecular Weight349.80 g/mol
Exact Mass349.04
IUPAC NameN-[5-[2-[(6-chloro-3-pyridinyl)amino]-1,3-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cnc(Nc3ccc(Cl)nc3)o2)s1
InChIInChI=1S/C14H12ClN5O2S/c1-7-12(23-14(18-7)19-8(2)21)10-6-17-13(22-10)20-9-3-4-11(15)16-5-9/h3-6H,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyLNVODDCNVZTONG-UHFFFAOYSA-N
XLogP3.86
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(6-chloro-3-pyridinyl)amino]-1,3-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-[(6-chloro-3-pyridinyl)amino]-1,3-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 71450453) is N-[5-[2-[(6-chloro-3-pyridinyl)amino]-1,3-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-[(6-chloro-3-pyridinyl)amino]-1,3-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-[(6-chloro-3-pyridinyl)amino]-1,3-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2cnc(Nc3ccc(Cl)nc3)o2)s1.
What is the InChIKey of N-[5-[2-[(6-chloro-3-pyridinyl)amino]-1,3-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is LNVODDCNVZTONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O2S/c1-7-12(23-14(18-7)19-8(2)21)10-6-17-13(22-10)20-9-3-4-11(15)16-5-9/h3-6H,1-2H3,(H,17,20)(H,18,19,21).
What are the key properties of N-[5-[2-[(6-chloro-3-pyridinyl)amino]-1,3-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[2-[(6-chloro-3-pyridinyl)amino]-1,3-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 349.80 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(6-chloro-3-pyridinyl)amino]-1,3-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 71450453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).