1-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylimidazol-2-amine

C10H12ClN3S — CID 106564555

IUPAC1-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylimidazol-2-amine
SMILESCc1cn(C(C)c2ccc(Cl)s2)c(N)n1
InChIInChI=1S/C10H12ClN3S/c1-6-5-14(10(12)13-6)7(2)8-3-4-9(11)15-8/h3-5,7H,1-2H3,(H2,12,13)
InChIKeyJCKBILFTEREMRH-UHFFFAOYSA-N
MW241.75 g/mol
LogP3.10
Rot. Bonds2

About 1-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylimidazol-2-amine

1-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylimidazol-2-amine (PubChem CID 106564555) has the molecular formula C10H12ClN3S and a molecular weight of 241.75 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylimidazol-2-amine
PubChem CID106564555
Molecular FormulaC10H12ClN3S
Molecular Weight241.75 g/mol
Exact Mass241.04
IUPAC Name1-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylimidazol-2-amine
SMILESCc1cn(C(C)c2ccc(Cl)s2)c(N)n1
InChIInChI=1S/C10H12ClN3S/c1-6-5-14(10(12)13-6)7(2)8-3-4-9(11)15-8/h3-5,7H,1-2H3,(H2,12,13)
InChIKeyJCKBILFTEREMRH-UHFFFAOYSA-N
XLogP3.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.75
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-amine
CID 79506894
4-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106574877
(1R)-1-[3-[1-(5-chlorothiophen-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 104942456
3-[1-(5-chlorothiophen-2-yl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301830
4-methyl-1-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 106562251
1-[1-(5-chlorothiophen-2-yl)ethyl]-6,7-difluorobenzimidazol-2-amine
CID 62532578
1-[1-(3-bromophenyl)ethyl]-4-methylimidazol-2-amine
CID 106564505
6-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79280689
4-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine
CID 106575204
(2R)-2-(5-chlorothiophen-2-yl)-N-(4-methylpyrimidin-2-yl)propanamide
CID 99842071
2-(1-bromoethyl)-5-chlorothiophene
CID 61096745
1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine
CID 61057830

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylimidazol-2-amine?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylimidazol-2-amine (CID 106564555) is 1-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylimidazol-2-amine is Cc1cn(C(C)c2ccc(Cl)s2)c(N)n1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylimidazol-2-amine?
The InChIKey is JCKBILFTEREMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3S/c1-6-5-14(10(12)13-6)7(2)8-3-4-9(11)15-8/h3-5,7H,1-2H3,(H2,12,13).
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylimidazol-2-amine?
1-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylimidazol-2-amine has a molecular weight of 241.75 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylimidazol-2-amine is sourced from PubChem (CID 106564555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).