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

C13H19N3OS — CID 61193336

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(C)c(C(C)NCc2nc(C)c(C)o2)s1
InChIInChI=1S/C13H19N3OS/c1-7-10(4)17-12(16-7)6-14-8(2)13-9(3)15-11(5)18-13/h8,14H,6H2,1-5H3
InChIKeySXKBIUWNDPRZIB-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.22
Rot. Bonds4

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 61193336) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
PubChem CID61193336
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(C)c(C(C)NCc2nc(C)c(C)o2)s1
InChIInChI=1S/C13H19N3OS/c1-7-10(4)17-12(16-7)6-14-8(2)13-9(3)15-11(5)18-13/h8,14H,6H2,1-5H3
InChIKeySXKBIUWNDPRZIB-UHFFFAOYSA-N
XLogP3.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine (CID 61193336) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine is Cc1nc(C)c(C(C)NCc2nc(C)c(C)o2)s1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is SXKBIUWNDPRZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-7-10(4)17-12(16-7)6-14-8(2)13-9(3)15-11(5)18-13/h8,14H,6H2,1-5H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 265.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 61193336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).