1-pyridin-2-yl-2-[2-(1-sulfanylethyl)-4,5-dihydro-1H-imidazol-5-yl]ethanethiol

C12H17N3S2 — CID 163606265

IUPAC1-pyridin-2-yl-2-[2-(1-sulfanylethyl)-4,5-dihydro-1H-imidazol-5-yl]ethanethiol
SMILESCC(S)C1=NCC(CC(S)c2ccccn2)N1
InChIInChI=1S/C12H17N3S2/c1-8(16)12-14-7-9(15-12)6-11(17)10-4-2-3-5-13-10/h2-5,8-9,11,16-17H,6-7H2,1H3,(H,14,15)
InChIKeyHCBSGBUWRHALHQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.13
Rot. Bonds4

About 1-pyridin-2-yl-2-[2-(1-sulfanylethyl)-4,5-dihydro-1H-imidazol-5-yl]ethanethiol

1-pyridin-2-yl-2-[2-(1-sulfanylethyl)-4,5-dihydro-1H-imidazol-5-yl]ethanethiol (PubChem CID 163606265) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-pyridin-2-yl-2-[2-(1-sulfanylethyl)-4,5-dihydro-1H-imidazol-5-yl]ethanethiol.

Molecular Properties

Compound Name1-pyridin-2-yl-2-[2-(1-sulfanylethyl)-4,5-dihydro-1H-imidazol-5-yl]ethanethiol
PubChem CID163606265
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC Name1-pyridin-2-yl-2-[2-(1-sulfanylethyl)-4,5-dihydro-1H-imidazol-5-yl]ethanethiol
SMILESCC(S)C1=NCC(CC(S)c2ccccn2)N1
InChIInChI=1S/C12H17N3S2/c1-8(16)12-14-7-9(15-12)6-11(17)10-4-2-3-5-13-10/h2-5,8-9,11,16-17H,6-7H2,1H3,(H,14,15)
InChIKeyHCBSGBUWRHALHQ-UHFFFAOYSA-N
XLogP2.13
TPSA37.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-pyridin-2-yl-2-[2-(1-sulfanylethyl)-4,5-dihydro-1H-imidazol-5-yl]ethanethiol with MolForge

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Related Compounds

2-(1-pyrrolidin-2-ylpropan-2-yl)pyridine
CID 83907313
2-[1-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl]pyridine
CID 68568343
N-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 86329926
1-pyridin-2-yl-N,N-bis(1-pyridin-2-ylethyl)ethanamine
CID 15806675
2-[1-(cyclopropylmethoxy)ethyl]pyridine
CID 21278985
N-(cyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 21278980
1-piperidin-2-yl-N-[(1R)-1-pyridin-2-ylethyl]propan-2-amine
CID 81401502
1-piperidin-2-yl-N-[(1S)-1-pyridin-2-ylethyl]propan-2-amine
CID 81402179
2-(1-cyclopropylpropyl)pyridine
CID 154455035
2-[(1S)-1-cyclohexylethyl]pyridine
CID 130409266
2-[(1R)-1-[[(2S)-pyrrolidin-2-yl]methoxy]ethyl]pyridine
CID 97162432
1-cyclohexyl-3-pyridin-2-ylbutan-2-amine
CID 66448950

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-2-[2-(1-sulfanylethyl)-4,5-dihydro-1H-imidazol-5-yl]ethanethiol?
The IUPAC name of 1-pyridin-2-yl-2-[2-(1-sulfanylethyl)-4,5-dihydro-1H-imidazol-5-yl]ethanethiol (CID 163606265) is 1-pyridin-2-yl-2-[2-(1-sulfanylethyl)-4,5-dihydro-1H-imidazol-5-yl]ethanethiol.
What is the SMILES notation for 1-pyridin-2-yl-2-[2-(1-sulfanylethyl)-4,5-dihydro-1H-imidazol-5-yl]ethanethiol?
The canonical SMILES for 1-pyridin-2-yl-2-[2-(1-sulfanylethyl)-4,5-dihydro-1H-imidazol-5-yl]ethanethiol is CC(S)C1=NCC(CC(S)c2ccccn2)N1.
What is the InChIKey of 1-pyridin-2-yl-2-[2-(1-sulfanylethyl)-4,5-dihydro-1H-imidazol-5-yl]ethanethiol?
The InChIKey is HCBSGBUWRHALHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-8(16)12-14-7-9(15-12)6-11(17)10-4-2-3-5-13-10/h2-5,8-9,11,16-17H,6-7H2,1H3,(H,14,15).
What are the key properties of 1-pyridin-2-yl-2-[2-(1-sulfanylethyl)-4,5-dihydro-1H-imidazol-5-yl]ethanethiol?
1-pyridin-2-yl-2-[2-(1-sulfanylethyl)-4,5-dihydro-1H-imidazol-5-yl]ethanethiol has a molecular weight of 267.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-2-[2-(1-sulfanylethyl)-4,5-dihydro-1H-imidazol-5-yl]ethanethiol is sourced from PubChem (CID 163606265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).