4-methyl-4-[3-(nitrosomethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine

C12H15N3OS — CID 90721389

IUPAC4-methyl-4-[3-(nitrosomethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(c2cccc(CN=O)c2)CCSC(N)=N1
InChIInChI=1S/C12H15N3OS/c1-12(5-6-17-11(13)15-12)10-4-2-3-9(7-10)8-14-16/h2-4,7H,5-6,8H2,1H3,(H2,13,15)
InChIKeyDKAMLYINBBVMEE-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.62
Rot. Bonds3

About 4-methyl-4-[3-(nitrosomethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine

4-methyl-4-[3-(nitrosomethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 90721389) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-methyl-4-[3-(nitrosomethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-methyl-4-[3-(nitrosomethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID90721389
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name4-methyl-4-[3-(nitrosomethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(c2cccc(CN=O)c2)CCSC(N)=N1
InChIInChI=1S/C12H15N3OS/c1-12(5-6-17-11(13)15-12)10-4-2-3-9(7-10)8-14-16/h2-4,7H,5-6,8H2,1H3,(H2,13,15)
InChIKeyDKAMLYINBBVMEE-UHFFFAOYSA-N
XLogP2.62
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(benzylamino)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride
CID 169423891
N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methylbenzamide;hydrochloride
CID 162310803
N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methoxybenzamide;hydrochloride
CID 162337924
1-[5-(4-aminobutyl)pyrazin-2-yl]-2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]ethanone
CID 160999318
2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-1-(5-pentylpyrazin-2-yl)ethanone
CID 147418935
2-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone
CID 161160531
ethyl 3-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]prop-2-enoate
CID 76629815
2-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-1-(5-pent-3-ynoxypyrazin-2-yl)ethanone
CID 159565432
2-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-1-[5-[(E)-but-2-enoxy]-2-pyridinyl]ethanone
CID 160511848
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-phenylmethoxypyrazine-2-carboxamide
CID 59250975
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-ethylpyrazine-2-carboxamide
CID 59250509
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-butylpyridine-2-carboxamide
CID 71083474

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-(nitrosomethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 4-methyl-4-[3-(nitrosomethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine (CID 90721389) is 4-methyl-4-[3-(nitrosomethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 4-methyl-4-[3-(nitrosomethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 4-methyl-4-[3-(nitrosomethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine is CC1(c2cccc(CN=O)c2)CCSC(N)=N1.
What is the InChIKey of 4-methyl-4-[3-(nitrosomethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is DKAMLYINBBVMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-12(5-6-17-11(13)15-12)10-4-2-3-9(7-10)8-14-16/h2-4,7H,5-6,8H2,1H3,(H2,13,15).
What are the key properties of 4-methyl-4-[3-(nitrosomethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine?
4-methyl-4-[3-(nitrosomethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-(nitrosomethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 90721389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).