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

C13H21N3OS — CID 115361760

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCc1noc(C)c1C(C)NC1=NCC(C)(C)CS1
InChIInChI=1S/C13H21N3OS/c1-8(11-9(2)16-17-10(11)3)15-12-14-6-13(4,5)7-18-12/h8H,6-7H2,1-5H3,(H,14,15)
InChIKeyDQEBPGXZDVDTPV-UHFFFAOYSA-N
MW267.40 g/mol
LogP3.07
Rot. Bonds2

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

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 115361760) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID115361760
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCc1noc(C)c1C(C)NC1=NCC(C)(C)CS1
InChIInChI=1S/C13H21N3OS/c1-8(11-9(2)16-17-10(11)3)15-12-14-6-13(4,5)7-18-12/h8H,6-7H2,1-5H3,(H,14,15)
InChIKeyDQEBPGXZDVDTPV-UHFFFAOYSA-N
XLogP3.07
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113496108
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998955
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
CID 78961774
5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 79002925
2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine
CID 79224969
4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide
CID 82899595
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659817
1-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 79225191
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 79242353
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]naphthalen-2-amine
CID 79242430
5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
CID 78961715
1-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbenzene-1,2-diamine
CID 114041311

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 115361760) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is Cc1noc(C)c1C(C)NC1=NCC(C)(C)CS1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is DQEBPGXZDVDTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-8(11-9(2)16-17-10(11)3)15-12-14-6-13(4,5)7-18-12/h8H,6-7H2,1-5H3,(H,14,15).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 267.40 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 115361760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).