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

C10H13BrN2S2 — CID 106049507

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCCc2ccc(Br)s2)S1
InChIInChI=1S/C10H13BrN2S2/c1-7-6-13-10(14-7)12-5-4-8-2-3-9(11)15-8/h2-3,7H,4-6H2,1H3,(H,12,13)
InChIKeyGOQCWROERLYLGI-UHFFFAOYSA-N
MW305.27 g/mol
LogP3.13
Rot. Bonds3

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

N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106049507) has the molecular formula C10H13BrN2S2 and a molecular weight of 305.27 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106049507
Molecular FormulaC10H13BrN2S2
Molecular Weight305.27 g/mol
Exact Mass303.97
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCCc2ccc(Br)s2)S1
InChIInChI=1S/C10H13BrN2S2/c1-7-6-13-10(14-7)12-5-4-8-2-3-9(11)15-8/h2-3,7H,4-6H2,1H3,(H,12,13)
InChIKeyGOQCWROERLYLGI-UHFFFAOYSA-N
XLogP3.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106049510
N-[2-(5-bromothiophen-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106049503
5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 80686490
N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 43439610
N-[2-(5-bromothiophen-2-yl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 114140004
6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine
CID 65306697
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-[2-(5-bromothiophen-2-yl)ethyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
CID 106049003

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 106049507) is N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(NCCc2ccc(Br)s2)S1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GOQCWROERLYLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2S2/c1-7-6-13-10(14-7)12-5-4-8-2-3-9(11)15-8/h2-3,7H,4-6H2,1H3,(H,12,13).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 305.27 g/mol, XLogP of 3.13, 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-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106049507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).