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

C17H19N3OS — CID 71868998

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propan-2-amine
SMILESCc1csc(C(C)(C)NCc2ncc(-c3ccccc3)o2)n1
InChIInChI=1S/C17H19N3OS/c1-12-11-22-16(20-12)17(2,3)19-10-15-18-9-14(21-15)13-7-5-4-6-8-13/h4-9,11,19H,10H2,1-3H3
InChIKeyDKCWQDADFAZGCL-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.13
Rot. Bonds5

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

2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propan-2-amine (PubChem CID 71868998) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propan-2-amine
PubChem CID71868998
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propan-2-amine
SMILESCc1csc(C(C)(C)NCc2ncc(-c3ccccc3)o2)n1
InChIInChI=1S/C17H19N3OS/c1-12-11-22-16(20-12)17(2,3)19-10-15-18-9-14(21-15)13-7-5-4-6-8-13/h4-9,11,19H,10H2,1-3H3
InChIKeyDKCWQDADFAZGCL-UHFFFAOYSA-N
XLogP4.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.13
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-phenyl-1,3-oxazol-2-yl)methyl]propan-2-amine?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propan-2-amine (CID 71868998) is 2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propan-2-amine is Cc1csc(C(C)(C)NCc2ncc(-c3ccccc3)o2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propan-2-amine?
The InChIKey is DKCWQDADFAZGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-12-11-22-16(20-12)17(2,3)19-10-15-18-9-14(21-15)13-7-5-4-6-8-13/h4-9,11,19H,10H2,1-3H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propan-2-amine?
2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propan-2-amine has a molecular weight of 313.43 g/mol, XLogP of 4.13, 5 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-phenyl-1,3-oxazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 71868998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).