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

C12H17ClN2S2 — CID 114140703

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCCc2ccc(Cl)s2)SC1
InChIInChI=1S/C12H17ClN2S2/c1-12(2)7-15-11(16-8-12)14-6-5-9-3-4-10(13)17-9/h3-4H,5-8H2,1-2H3,(H,14,15)
InChIKeyDZASXIMZQWFFIX-UHFFFAOYSA-N
MW288.87 g/mol
LogP3.66
Rot. Bonds3

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

N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 114140703) has the molecular formula C12H17ClN2S2 and a molecular weight of 288.87 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID114140703
Molecular FormulaC12H17ClN2S2
Molecular Weight288.87 g/mol
Exact Mass288.05
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCCc2ccc(Cl)s2)SC1
InChIInChI=1S/C12H17ClN2S2/c1-12(2)7-15-11(16-8-12)14-6-5-9-3-4-10(13)17-9/h3-4H,5-8H2,1-2H3,(H,14,15)
InChIKeyDZASXIMZQWFFIX-UHFFFAOYSA-N
XLogP3.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.87
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

5,5-dimethyl-N-(2-methylsulfanylethyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 115361656
N-(2-cyclopropylethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361732
N-hexyl-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361245
4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine
CID 106037251
N-(2,2-difluoroethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115407841
5,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 113294282
N-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361676
3-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 106040771
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine
CID 106037262
5-(1-chloroethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106052182
6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine
CID 106038485
N-[2-(5-chlorothiophen-2-yl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103702670

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 114140703) is N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is CC1(C)CN=C(NCCc2ccc(Cl)s2)SC1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is DZASXIMZQWFFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2S2/c1-12(2)7-15-11(16-8-12)14-6-5-9-3-4-10(13)17-9/h3-4H,5-8H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 288.87 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 114140703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).