1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine

C14H20ClN3S — CID 103407554

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCCNC(CCc1nccn1C)c1scc(C)c1Cl
InChIInChI=1S/C14H20ClN3S/c1-4-16-11(14-13(15)10(2)9-19-14)5-6-12-17-7-8-18(12)3/h7-9,11,16H,4-6H2,1-3H3
InChIKeyRBFPHWKDMLBZIL-UHFFFAOYSA-N
MW297.86 g/mol
LogP3.73
Rot. Bonds6

About 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine

1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 103407554) has the molecular formula C14H20ClN3S and a molecular weight of 297.86 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID103407554
Molecular FormulaC14H20ClN3S
Molecular Weight297.86 g/mol
Exact Mass297.11
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCCNC(CCc1nccn1C)c1scc(C)c1Cl
InChIInChI=1S/C14H20ClN3S/c1-4-16-11(14-13(15)10(2)9-19-14)5-6-12-17-7-8-18(12)3/h7-9,11,16H,4-6H2,1-3H3
InChIKeyRBFPHWKDMLBZIL-UHFFFAOYSA-N
XLogP3.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.86
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 103407559
1-(3-chloro-2-pyridinyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 103444443
N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 105049697
1-(2-bromo-3-methylphenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 107985466
1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530181
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105187699
1-(3-chloro-4-methylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 103407961
N-ethyl-1-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530517
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 102812906
N-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529913
1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049957
N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 114530055

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine (CID 103407554) is 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine is CCNC(CCc1nccn1C)c1scc(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is RBFPHWKDMLBZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3S/c1-4-16-11(14-13(15)10(2)9-19-14)5-6-12-17-7-8-18(12)3/h7-9,11,16H,4-6H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine?
1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 297.86 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 103407554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).