N-(6-chloro-3-pyridinyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine

C12H9ClN4OS — CID 167885654

IUPACN-(6-chloro-3-pyridinyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1ncoc1-c1csc(Nc2ccc(Cl)nc2)n1
InChIInChI=1S/C12H9ClN4OS/c1-7-11(18-6-15-7)9-5-19-12(17-9)16-8-2-3-10(13)14-4-8/h2-6H,1H3,(H,16,17)
InChIKeySCFVXLZRCNRFOJ-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.90
Rot. Bonds3

About N-(6-chloro-3-pyridinyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine

N-(6-chloro-3-pyridinyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 167885654) has the molecular formula C12H9ClN4OS and a molecular weight of 292.75 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine
PubChem CID167885654
Molecular FormulaC12H9ClN4OS
Molecular Weight292.75 g/mol
Exact Mass292.02
IUPAC NameN-(6-chloro-3-pyridinyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1ncoc1-c1csc(Nc2ccc(Cl)nc2)n1
InChIInChI=1S/C12H9ClN4OS/c1-7-11(18-6-15-7)9-5-19-12(17-9)16-8-2-3-10(13)14-4-8/h2-6H,1H3,(H,16,17)
InChIKeySCFVXLZRCNRFOJ-UHFFFAOYSA-N
XLogP3.90
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(6-chloro-3-pyridinyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(6-chloro-3-pyridinyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine (CID 167885654) is N-(6-chloro-3-pyridinyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine is Cc1ncoc1-c1csc(Nc2ccc(Cl)nc2)n1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is SCFVXLZRCNRFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4OS/c1-7-11(18-6-15-7)9-5-19-12(17-9)16-8-2-3-10(13)14-4-8/h2-6H,1H3,(H,16,17).
What are the key properties of N-(6-chloro-3-pyridinyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine?
N-(6-chloro-3-pyridinyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 292.75 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 167885654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).