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

C12H17N3OS — CID 65181413

IUPAC2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCc1ncsc1-c1cnc(CNCC(C)C)o1
InChIInChI=1S/C12H17N3OS/c1-8(2)4-13-6-11-14-5-10(16-11)12-9(3)15-7-17-12/h5,7-8,13H,4,6H2,1-3H3
InChIKeyWKFIODTXUYBNNB-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.85
Rot. Bonds5

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

2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine (PubChem CID 65181413) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
PubChem CID65181413
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCc1ncsc1-c1cnc(CNCC(C)C)o1
InChIInChI=1S/C12H17N3OS/c1-8(2)4-13-6-11-14-5-10(16-11)12-9(3)15-7-17-12/h5,7-8,13H,4,6H2,1-3H3
InChIKeyWKFIODTXUYBNNB-UHFFFAOYSA-N
XLogP2.85
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine (CID 65181413) is 2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine is Cc1ncsc1-c1cnc(CNCC(C)C)o1.
What is the InChIKey of 2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The InChIKey is WKFIODTXUYBNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-8(2)4-13-6-11-14-5-10(16-11)12-9(3)15-7-17-12/h5,7-8,13H,4,6H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine has a molecular weight of 251.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 65181413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).