1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

C13H18N2S2 — CID 65380761

IUPAC1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)NCc2cccs2)s1
InChIInChI=1S/C13H18N2S2/c1-2-10-5-6-13(17-10)12(8-14)15-9-11-4-3-7-16-11/h3-7,12,15H,2,8-9,14H2,1H3
InChIKeyYHHUUNOOAUKAJS-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.16
Rot. Bonds6

About 1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 65380761) has the molecular formula C13H18N2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID65380761
Molecular FormulaC13H18N2S2
Molecular Weight266.43 g/mol
Exact Mass266.09
IUPAC Name1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)NCc2cccs2)s1
InChIInChI=1S/C13H18N2S2/c1-2-10-5-6-13(17-10)12(8-14)15-9-11-4-3-7-16-11/h3-7,12,15H,2,8-9,14H2,1H3
InChIKeyYHHUUNOOAUKAJS-UHFFFAOYSA-N
XLogP3.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
CID 62344671
1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65379558
1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912632
1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62540616
1-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 66480167
2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
CID 65379566
1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115861110
N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65379559
N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 43534521
1-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 115654583
1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol
CID 65150040
1-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 81146340

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 65380761) is 1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is CCc1ccc(C(CN)NCc2cccs2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is YHHUUNOOAUKAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-2-10-5-6-13(17-10)12(8-14)15-9-11-4-3-7-16-11/h3-7,12,15H,2,8-9,14H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 266.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 65380761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).