N-[2-(5-bromothiophen-2-yl)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine

C13H19BrN2S2 — CID 137000560

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
SMILESCC(C)CC1CS/C(=N\CCc2ccc(Br)s2)N1
InChIInChI=1S/C13H19BrN2S2/c1-9(2)7-10-8-17-13(16-10)15-6-5-11-3-4-12(14)18-11/h3-4,9-10H,5-8H2,1-2H3,(H,15,16)
InChIKeyISVOJJBGZXHFEP-UHFFFAOYSA-N
MW347.35 g/mol
LogP4.16
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine

N-[2-(5-bromothiophen-2-yl)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine (PubChem CID 137000560) 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]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
PubChem CID137000560
Molecular FormulaC13H19BrN2S2
Molecular Weight347.35 g/mol
Exact Mass346.02
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
SMILESCC(C)CC1CS/C(=N\CCc2ccc(Br)s2)N1
InChIInChI=1S/C13H19BrN2S2/c1-9(2)7-10-8-17-13(16-10)15-6-5-11-3-4-12(14)18-11/h3-4,9-10H,5-8H2,1-2H3,(H,15,16)
InChIKeyISVOJJBGZXHFEP-UHFFFAOYSA-N
XLogP4.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
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 ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylsulfinylethyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 136933149
N-(3-butoxypropyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 137002731
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848598
N-[2-(5-bromothiophen-2-yl)ethyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136688133
1-[(5-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-2-propylpiperazine
CID 64849116
4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine
CID 136701829
N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115712482
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 106043282
N-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine
CID 135934566
N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106043985
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476
N-[2-(5-bromothiophen-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106049503

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine (CID 137000560) is N-[2-(5-bromothiophen-2-yl)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine is CC(C)CC1CS/C(=N\CCc2ccc(Br)s2)N1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine?
The InChIKey is ISVOJJBGZXHFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2S2/c1-9(2)7-10-8-17-13(16-10)15-6-5-11-3-4-12(14)18-11/h3-4,9-10H,5-8H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine?
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine has a molecular weight of 347.35 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 137000560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).