4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine

C18H13ClN4OS — CID 71608043

IUPAC4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1ccnc(Nc2nc(-c3cc(-c4ccc(Cl)cc4)no3)cs2)c1
InChIInChI=1S/C18H13ClN4OS/c1-11-6-7-20-17(8-11)22-18-21-15(10-25-18)16-9-14(23-24-16)12-2-4-13(19)5-3-12/h2-10H,1H3,(H,20,21,22)
InChIKeyODOSTDOMOINNQQ-UHFFFAOYSA-N
MW368.85 g/mol
LogP5.57
Rot. Bonds4

About 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine

4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 71608043) has the molecular formula C18H13ClN4OS and a molecular weight of 368.85 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID71608043
Molecular FormulaC18H13ClN4OS
Molecular Weight368.85 g/mol
Exact Mass368.05
IUPAC Name4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1ccnc(Nc2nc(-c3cc(-c4ccc(Cl)cc4)no3)cs2)c1
InChIInChI=1S/C18H13ClN4OS/c1-11-6-7-20-17(8-11)22-18-21-15(10-25-18)16-9-14(23-24-16)12-2-4-13(19)5-3-12/h2-10H,1H3,(H,20,21,22)
InChIKeyODOSTDOMOINNQQ-UHFFFAOYSA-N
XLogP5.57
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.85
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 71608043) is 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1ccnc(Nc2nc(-c3cc(-c4ccc(Cl)cc4)no3)cs2)c1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is ODOSTDOMOINNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4OS/c1-11-6-7-20-17(8-11)22-18-21-15(10-25-18)16-9-14(23-24-16)12-2-4-13(19)5-3-12/h2-10H,1H3,(H,20,21,22).
What are the key properties of 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 368.85 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 71608043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).