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

C13H17N3OS — CID 86789396

IUPAC1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1csc(C(NCc2ncc(C)o2)C2CC2)n1
InChIInChI=1S/C13H17N3OS/c1-8-7-18-13(16-8)12(10-3-4-10)15-6-11-14-5-9(2)17-11/h5,7,10,12,15H,3-4,6H2,1-2H3
InChIKeyVXCXCBFBVUWYQR-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.99
Rot. Bonds5

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

1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 86789396) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID86789396
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1csc(C(NCc2ncc(C)o2)C2CC2)n1
InChIInChI=1S/C13H17N3OS/c1-8-7-18-13(16-8)12(10-3-4-10)15-6-11-14-5-9(2)17-11/h5,7,10,12,15H,3-4,6H2,1-2H3
InChIKeyVXCXCBFBVUWYQR-UHFFFAOYSA-N
XLogP2.99
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of 1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine (CID 86789396) is 1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine is Cc1csc(C(NCc2ncc(C)o2)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is VXCXCBFBVUWYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8-7-18-13(16-8)12(10-3-4-10)15-6-11-14-5-9(2)17-11/h5,7,10,12,15H,3-4,6H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 263.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 86789396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).