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

C12H17N3OS — CID 114031453

IUPAC2-methyl-N-[[5-(2-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCc1ncc(-c2cnc(CNC(C)(C)C)o2)s1
InChIInChI=1S/C12H17N3OS/c1-8-13-6-10(17-8)9-5-14-11(16-9)7-15-12(2,3)4/h5-6,15H,7H2,1-4H3
InChIKeyYNTCBPZYFZKMJM-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.99
Rot. Bonds3

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

2-methyl-N-[[5-(2-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine (PubChem CID 114031453) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(2-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
PubChem CID114031453
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-methyl-N-[[5-(2-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCc1ncc(-c2cnc(CNC(C)(C)C)o2)s1
InChIInChI=1S/C12H17N3OS/c1-8-13-6-10(17-8)9-5-14-11(16-9)7-15-12(2,3)4/h5-6,15H,7H2,1-4H3
InChIKeyYNTCBPZYFZKMJM-UHFFFAOYSA-N
XLogP2.99
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.99
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-(2-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(2-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine (CID 114031453) is 2-methyl-N-[[5-(2-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(2-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(2-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine is Cc1ncc(-c2cnc(CNC(C)(C)C)o2)s1.
What is the InChIKey of 2-methyl-N-[[5-(2-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The InChIKey is YNTCBPZYFZKMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-8-13-6-10(17-8)9-5-14-11(16-9)7-15-12(2,3)4/h5-6,15H,7H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-(2-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(2-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine has a molecular weight of 251.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 114031453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).