N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

C12H19N3OS — CID 106375244

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCc1cnc(CNC2=NCC(C)(C)CS2)o1
InChIInChI=1S/C12H19N3OS/c1-4-9-5-13-10(16-9)6-14-11-15-7-12(2,3)8-17-11/h5H,4,6-8H2,1-3H3,(H,14,15)
InChIKeyUPIOHZWRQSYKSO-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.46
Rot. Bonds3

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106375244) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106375244
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCc1cnc(CNC2=NCC(C)(C)CS2)o1
InChIInChI=1S/C12H19N3OS/c1-4-9-5-13-10(16-9)6-14-11-15-7-12(2,3)8-17-11/h5H,4,6-8H2,1-3H3,(H,14,15)
InChIKeyUPIOHZWRQSYKSO-UHFFFAOYSA-N
XLogP2.46
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 106375244) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is CCc1cnc(CNC2=NCC(C)(C)CS2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is UPIOHZWRQSYKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-4-9-5-13-10(16-9)6-14-11-15-7-12(2,3)8-17-11/h5H,4,6-8H2,1-3H3,(H,14,15).
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 253.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106375244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).