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

C11H17N3OS — CID 106375333

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1nc(CNC2=NCC(C)CS2)oc1C
InChIInChI=1S/C11H17N3OS/c1-7-4-12-11(16-6-7)13-5-10-14-8(2)9(3)15-10/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyWWCNXANCQFSZTJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.12
Rot. Bonds2

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106375333) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106375333
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1nc(CNC2=NCC(C)CS2)oc1C
InChIInChI=1S/C11H17N3OS/c1-7-4-12-11(16-6-7)13-5-10-14-8(2)9(3)15-10/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyWWCNXANCQFSZTJ-UHFFFAOYSA-N
XLogP2.12
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 114180756
5-methyl-N-(thiolan-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 107297184
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 106374123
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 106370727
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 82594349
N-(3-ethoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035873
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylcyclohexyl)methanamine
CID 102673152
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine
CID 113254675
4-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
CID 60972696
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 115609373
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluoroaniline
CID 54882181
2-(iodomethyl)-4,5-dimethyl-1,3-oxazole
CID 64788348

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106375333) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1nc(CNC2=NCC(C)CS2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is WWCNXANCQFSZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7-4-12-11(16-6-7)13-5-10-14-8(2)9(3)15-10/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 239.34 g/mol, XLogP of 2.12, 2 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]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106375333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).