2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol

C11H15N3OS — CID 106435664

IUPAC2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol
SMILESCCn1ccnc1NCC(O)c1ccsc1
InChIInChI=1S/C11H15N3OS/c1-2-14-5-4-12-11(14)13-7-10(15)9-3-6-16-8-9/h3-6,8,10,15H,2,7H2,1H3,(H,12,13)
InChIKeyXBRBFJJLJUNAQB-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.11
Rot. Bonds5

About 2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol

2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol (PubChem CID 106435664) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol
PubChem CID106435664
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol
SMILESCCn1ccnc1NCC(O)c1ccsc1
InChIInChI=1S/C11H15N3OS/c1-2-14-5-4-12-11(14)13-7-10(15)9-3-6-16-8-9/h3-6,8,10,15H,2,7H2,1H3,(H,12,13)
InChIKeyXBRBFJJLJUNAQB-UHFFFAOYSA-N
XLogP2.11
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one
CID 106435749
1-ethyl-N-(1-thiophen-3-ylethyl)imidazol-2-amine
CID 62842596
1-thiophen-3-yl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethanol
CID 103710821
2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 106435613
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436448
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188665
2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188663
N'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine
CID 55256491
N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841853
2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 106436357
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188670

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol (CID 106435664) is 2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol is CCn1ccnc1NCC(O)c1ccsc1.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol?
The InChIKey is XBRBFJJLJUNAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-2-14-5-4-12-11(14)13-7-10(15)9-3-6-16-8-9/h3-6,8,10,15H,2,7H2,1H3,(H,12,13).
What are the key properties of 2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol?
2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol has a molecular weight of 237.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 106435664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).