N-(2-chloro-4-iodophenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C11H12ClIN2S — CID 107607269

IUPACN-(2-chloro-4-iodophenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(Nc2ccc(I)cc2Cl)SC1
InChIInChI=1S/C11H12ClIN2S/c1-7-5-14-11(16-6-7)15-10-3-2-8(13)4-9(10)12/h2-4,7H,5-6H2,1H3,(H,14,15)
InChIKeyRPCPJDTWSGWWFN-UHFFFAOYSA-N
MW366.66 g/mol
LogP4.10
Rot. Bonds1

About N-(2-chloro-4-iodophenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(2-chloro-4-iodophenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 107607269) has the molecular formula C11H12ClIN2S and a molecular weight of 366.66 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID107607269
Molecular FormulaC11H12ClIN2S
Molecular Weight366.66 g/mol
Exact Mass365.95
IUPAC NameN-(2-chloro-4-iodophenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(Nc2ccc(I)cc2Cl)SC1
InChIInChI=1S/C11H12ClIN2S/c1-7-5-14-11(16-6-7)15-10-3-2-8(13)4-9(10)12/h2-4,7H,5-6H2,1H3,(H,14,15)
InChIKeyRPCPJDTWSGWWFN-UHFFFAOYSA-N
XLogP4.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.66
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-iodophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107607250
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036237
N-(4-bromo-2-ethylphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 81289616
N-[4-bromo-2-(trifluoromethyl)phenyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036060
N-(5-bromo-2-methoxyphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036614
4-N,4-N-dimethyl-1-N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzene-1,4-diamine
CID 65036001
5-methyl-N-(2-methylquinolin-8-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035653
4-N-(2-chloro-4-iodophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 107604708
(4S)-N-(2,4-dichlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246788
3-chloro-4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzonitrile
CID 107809173
5-methyl-N-(5-methyl-3-pyridinyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 107585935
3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzamide
CID 114003567

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2-chloro-4-iodophenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 107607269) is N-(2-chloro-4-iodophenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(Nc2ccc(I)cc2Cl)SC1.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is RPCPJDTWSGWWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClIN2S/c1-7-5-14-11(16-6-7)15-10-3-2-8(13)4-9(10)12/h2-4,7H,5-6H2,1H3,(H,14,15).
What are the key properties of N-(2-chloro-4-iodophenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2-chloro-4-iodophenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 366.66 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 107607269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).