2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol

C12H17N3OS — CID 54958917

IUPAC2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol
SMILESCC(Cn1ccnc1)NCC(O)c1cccs1
InChIInChI=1S/C12H17N3OS/c1-10(8-15-5-4-13-9-15)14-7-11(16)12-3-2-6-17-12/h2-6,9-11,14,16H,7-8H2,1H3
InChIKeyRMCWTPNGSFVAGJ-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.66
Rot. Bonds6

About 2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol

2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol (PubChem CID 54958917) has the molecular formula C12H17N3OS and a molecular weight of 251.36 g/mol. Its IUPAC name is 2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol
PubChem CID54958917
Molecular FormulaC12H17N3OS
Molecular Weight251.36 g/mol
Exact Mass251.11
IUPAC Name2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol
SMILESCC(Cn1ccnc1)NCC(O)c1cccs1
InChIInChI=1S/C12H17N3OS/c1-10(8-15-5-4-13-9-15)14-7-11(16)12-3-2-6-17-12/h2-6,9-11,14,16H,7-8H2,1H3
InChIKeyRMCWTPNGSFVAGJ-UHFFFAOYSA-N
XLogP1.66
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol
CID 61479260
(1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol
CID 129406015
2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol
CID 81133447
N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60697416
1-(2-chloro-2-thiophen-2-ylethyl)imidazole
CID 19870532
2-imidazol-1-yl-1-thiophen-2-ylethanethiol
CID 57037505
1-(diethylamino)-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol
CID 54958866
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 61479372
N'-(1-imidazol-1-ylpropan-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 107441820
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-thiophen-2-ylethanol
CID 62118090
2-[4-(furan-2-yl)butan-2-ylamino]-1-thiophen-2-ylethanol
CID 54968018

Frequently Asked Questions

What is the IUPAC name of 2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol (CID 54958917) is 2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol is CC(Cn1ccnc1)NCC(O)c1cccs1.
What is the InChIKey of 2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol?
The InChIKey is RMCWTPNGSFVAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-10(8-15-5-4-13-9-15)14-7-11(16)12-3-2-6-17-12/h2-6,9-11,14,16H,7-8H2,1H3.
What are the key properties of 2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol?
2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol has a molecular weight of 251.36 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol is sourced from PubChem (CID 54958917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).