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

C13H19BrN2S2 — CID 106049503

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(NCCc2ccc(Br)s2)S1
InChIInChI=1S/C13H19BrN2S2/c1-9(2)7-11-8-16-13(18-11)15-6-5-10-3-4-12(14)17-10/h3-4,9,11H,5-8H2,1-2H3,(H,15,16)
InChIKeyFVGDKCSZWQPKGE-UHFFFAOYSA-N
MW347.35 g/mol
LogP4.16
Rot. Bonds5

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

N-[2-(5-bromothiophen-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106049503) has the molecular formula C13H19BrN2S2 and a molecular weight of 347.35 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106049503
Molecular FormulaC13H19BrN2S2
Molecular Weight347.35 g/mol
Exact Mass346.02
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(NCCc2ccc(Br)s2)S1
InChIInChI=1S/C13H19BrN2S2/c1-9(2)7-11-8-16-13(18-11)15-6-5-10-3-4-12(14)17-10/h3-4,9,11H,5-8H2,1-2H3,(H,15,16)
InChIKeyFVGDKCSZWQPKGE-UHFFFAOYSA-N
XLogP4.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 54.16
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-4,5-dihydro-1,3-thiazol-2-amine
CID 106049507
N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106049510
N-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106014089
N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 107153702
N-[1-(2-methylphenyl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154120
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154208
N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115712482
N-(2-methyl-2-methylsulfonylpropyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154552
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 106043282
5-(2-methylpropyl)-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107153676
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 106049503) is N-[2-(5-bromothiophen-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CN=C(NCCc2ccc(Br)s2)S1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is FVGDKCSZWQPKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2S2/c1-9(2)7-11-8-16-13(18-11)15-6-5-10-3-4-12(14)17-10/h3-4,9,11H,5-8H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 347.35 g/mol, XLogP of 4.16, 5 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-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106049503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).