N-(2-chloro-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine

C15H21ClN2S — CID 106250051

IUPACN-(2-chloro-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(Nc2ccc(C)cc2Cl)SC1
InChIInChI=1S/C15H21ClN2S/c1-4-15(5-2)9-17-14(19-10-15)18-13-7-6-11(3)8-12(13)16/h6-8H,4-5,9-10H2,1-3H3,(H,17,18)
InChIKeyAOMURJIIIUOAAO-UHFFFAOYSA-N
MW296.87 g/mol
LogP4.97
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine

N-(2-chloro-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106250051) has the molecular formula C15H21ClN2S and a molecular weight of 296.87 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106250051
Molecular FormulaC15H21ClN2S
Molecular Weight296.87 g/mol
Exact Mass296.11
IUPAC NameN-(2-chloro-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(Nc2ccc(C)cc2Cl)SC1
InChIInChI=1S/C15H21ClN2S/c1-4-15(5-2)9-17-14(19-10-15)18-13-7-6-11(3)8-12(13)16/h6-8H,4-5,9-10H2,1-3H3,(H,17,18)
InChIKeyAOMURJIIIUOAAO-UHFFFAOYSA-N
XLogP4.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.87
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-diethyl-N-(2-propylphenyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106250477
N-(2-chloro-4-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62525170
N-(2-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249725
5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106249760
N-(2-chloro-4-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 113492385
N-(2-chlorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361144
4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide
CID 106249819
5,5-diethyl-N-[(5-ethylthiophen-2-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 106252065
N-(3-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250484
5,5-diethyl-N-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106250447
N-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 107637550
N-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 63668464

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(2-chloro-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 106250051) is N-(2-chloro-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine is CCC1(CC)CN=C(Nc2ccc(C)cc2Cl)SC1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is AOMURJIIIUOAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2S/c1-4-15(5-2)9-17-14(19-10-15)18-13-7-6-11(3)8-12(13)16/h6-8H,4-5,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-(2-chloro-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-(2-chloro-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 296.87 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106250051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).