(1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol

C10H12N2OS — CID 129406015

IUPAC(1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol
SMILESO[C@@H](CCn1ccnc1)c1cccs1
InChIInChI=1S/C10H12N2OS/c13-9(10-2-1-7-14-10)3-5-12-6-4-11-8-12/h1-2,4,6-9,13H,3,5H2/t9-/m0/s1
InChIKeyXRGRORDAQZAPFK-VIFPVBQESA-N
MW208.29 g/mol
LogP2.07
Rot. Bonds4

About (1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol

(1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol (PubChem CID 129406015) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is (1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name(1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol
PubChem CID129406015
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name(1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol
SMILESO[C@@H](CCn1ccnc1)c1cccs1
InChIInChI=1S/C10H12N2OS/c13-9(10-2-1-7-14-10)3-5-12-6-4-11-8-12/h1-2,4,6-9,13H,3,5H2/t9-/m0/s1
InChIKeyXRGRORDAQZAPFK-VIFPVBQESA-N
XLogP2.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol
CID 54958917
1-(2-chloro-2-thiophen-2-ylethyl)imidazole
CID 19870532
2-imidazol-1-yl-1-thiophen-2-ylethanethiol
CID 57037505
N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60697416
1-imidazol-1-yl-5-phenylpentan-3-ol
CID 21415241
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine
CID 61324705
4-imidazol-1-yl-1-thiophen-2-ylbutan-2-one;hydrochloride
CID 67780593
N-(3-imidazol-1-ylpropyl)thiophen-2-amine
CID 91018147
N-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 43773858
1-(2-imidazol-1-ylethyl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea
CID 94178888
2-(2-imidazol-1-ylethylamino)-1-phenylethanol
CID 60689397
2-imidazol-1-yl-1-thiophen-2-ylethanone
CID 14264751

Frequently Asked Questions

What is the IUPAC name of (1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of (1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol (CID 129406015) is (1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for (1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for (1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol is O[C@@H](CCn1ccnc1)c1cccs1.
What is the InChIKey of (1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol?
The InChIKey is XRGRORDAQZAPFK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12N2OS/c13-9(10-2-1-7-14-10)3-5-12-6-4-11-8-12/h1-2,4,6-9,13H,3,5H2/t9-/m0/s1.
What are the key properties of (1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol?
(1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol has a molecular weight of 208.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 129406015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).