N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C11H15BrN2S2 — CID 106049510

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCCc2ccc(Br)s2)SC1
InChIInChI=1S/C11H15BrN2S2/c1-8-6-14-11(15-7-8)13-5-4-9-2-3-10(12)16-9/h2-3,8H,4-7H2,1H3,(H,13,14)
InChIKeyNNVRPQLQWFJGKR-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.38
Rot. Bonds3

About N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106049510) has the molecular formula C11H15BrN2S2 and a molecular weight of 319.29 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106049510
Molecular FormulaC11H15BrN2S2
Molecular Weight319.29 g/mol
Exact Mass317.99
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCCc2ccc(Br)s2)SC1
InChIInChI=1S/C11H15BrN2S2/c1-8-6-14-11(15-7-8)13-5-4-9-2-3-10(12)16-9/h2-3,8H,4-7H2,1H3,(H,13,14)
InChIKeyNNVRPQLQWFJGKR-UHFFFAOYSA-N
XLogP3.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 106049507
N-[2-(5-bromothiophen-2-yl)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 106049491
N-[2-(5-bromothiophen-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106049503
5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 103008516
5-methyl-N-(2-methylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035545
N-[2-(5-bromothiophen-2-yl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 114140004
N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035597
2-(5-bromothiophen-2-yl)-N-iodoethanamine
CID 134427981
N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 103736381
5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 106043160
N-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 106042746
N-(4-bromo-2-ethylphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 81289616

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106049510) is N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NCCc2ccc(Br)s2)SC1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is NNVRPQLQWFJGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2S2/c1-8-6-14-11(15-7-8)13-5-4-9-2-3-10(12)16-9/h2-3,8H,4-7H2,1H3,(H,13,14).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 319.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106049510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).