N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine

C14H14ClN3S2 — CID 61324705

IUPACN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine
SMILESClc1ccc(C(NCCn2ccnc2)c2cccs2)s1
InChIInChI=1S/C14H14ClN3S2/c15-13-4-3-12(20-13)14(11-2-1-9-19-11)17-6-8-18-7-5-16-10-18/h1-5,7,9-10,14,17H,6,8H2
InChIKeyGDMTVNQQCDPSBT-UHFFFAOYSA-N
MW323.87 g/mol
LogP4.04
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine

N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine (PubChem CID 61324705) has the molecular formula C14H14ClN3S2 and a molecular weight of 323.87 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine
PubChem CID61324705
Molecular FormulaC14H14ClN3S2
Molecular Weight323.87 g/mol
Exact Mass323.03
IUPAC NameN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine
SMILESClc1ccc(C(NCCn2ccnc2)c2cccs2)s1
InChIInChI=1S/C14H14ClN3S2/c15-13-4-3-12(20-13)14(11-2-1-9-19-11)17-6-8-18-7-5-16-10-18/h1-5,7,9-10,14,17H,6,8H2
InChIKeyGDMTVNQQCDPSBT-UHFFFAOYSA-N
XLogP4.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-imidazol-1-ylethanamine
CID 61324706
N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60697416
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methoxyethanamine
CID 43756293
1-(2-chloro-2-thiophen-2-ylethyl)imidazole
CID 19870532
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
2-imidazol-1-yl-1-thiophen-2-ylethanethiol
CID 57037505
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine
CID 115517345
1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 106895048
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-3-ethoxypropan-1-amine
CID 43765306
(1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol
CID 129406015
1-(5-chlorothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine
CID 62323529
1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61323680

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine (CID 61324705) is N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine is Clc1ccc(C(NCCn2ccnc2)c2cccs2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine?
The InChIKey is GDMTVNQQCDPSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3S2/c15-13-4-3-12(20-13)14(11-2-1-9-19-11)17-6-8-18-7-5-16-10-18/h1-5,7,9-10,14,17H,6,8H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine?
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine has a molecular weight of 323.87 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine is sourced from PubChem (CID 61324705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).