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

C15H23N3OS — CID 71868861

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]butan-2-amine
SMILESCCC(C)(NCc1ncc(C(C)C)o1)c1nc(C)cs1
InChIInChI=1S/C15H23N3OS/c1-6-15(5,14-18-11(4)9-20-14)17-8-13-16-7-12(19-13)10(2)3/h7,9-10,17H,6,8H2,1-5H3
InChIKeyMBOZNEPIAZNUNW-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.98
Rot. Bonds6

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

2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]butan-2-amine (PubChem CID 71868861) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]butan-2-amine
PubChem CID71868861
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]butan-2-amine
SMILESCCC(C)(NCc1ncc(C(C)C)o1)c1nc(C)cs1
InChIInChI=1S/C15H23N3OS/c1-6-15(5,14-18-11(4)9-20-14)17-8-13-16-7-12(19-13)10(2)3/h7,9-10,17H,6,8H2,1-5H3
InChIKeyMBOZNEPIAZNUNW-UHFFFAOYSA-N
XLogP3.98
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]butan-2-amine?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]butan-2-amine (CID 71868861) is 2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]butan-2-amine.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]butan-2-amine?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]butan-2-amine is CCC(C)(NCc1ncc(C(C)C)o1)c1nc(C)cs1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]butan-2-amine?
The InChIKey is MBOZNEPIAZNUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-6-15(5,14-18-11(4)9-20-14)17-8-13-16-7-12(19-13)10(2)3/h7,9-10,17H,6,8H2,1-5H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]butan-2-amine?
2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]butan-2-amine has a molecular weight of 293.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]butan-2-amine is sourced from PubChem (CID 71868861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).