4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

C20H18N4OS — CID 89423168

IUPAC4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(-c4c(C)noc4C)cc3)cs2)n1
InChIInChI=1S/C20H18N4OS/c1-12-5-4-6-18(21-12)23-20-22-17(11-26-20)15-7-9-16(10-8-15)19-13(2)24-25-14(19)3/h4-11H,1-3H3,(H,21,22,23)
InChIKeyVKUVNDRBCFDLIL-UHFFFAOYSA-N
MW362.46 g/mol
LogP5.53
Rot. Bonds4

About 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 89423168) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID89423168
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(-c4c(C)noc4C)cc3)cs2)n1
InChIInChI=1S/C20H18N4OS/c1-12-5-4-6-18(21-12)23-20-22-17(11-26-20)15-7-9-16(10-8-15)19-13(2)24-25-14(19)3/h4-11H,1-3H3,(H,21,22,23)
InChIKeyVKUVNDRBCFDLIL-UHFFFAOYSA-N
XLogP5.53
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.46
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 89423168) is 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccc(-c4c(C)noc4C)cc3)cs2)n1.
What is the InChIKey of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is VKUVNDRBCFDLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-12-5-4-6-18(21-12)23-20-22-17(11-26-20)15-7-9-16(10-8-15)19-13(2)24-25-14(19)3/h4-11H,1-3H3,(H,21,22,23).
What are the key properties of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 362.46 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 89423168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).