1-methyl-2,5-dihydropyrrole;2-methyl-3H-1,2-thiazole

C9H16N2S — CID 143282413

IUPAC1-methyl-2,5-dihydropyrrole;2-methyl-3H-1,2-thiazole
SMILESCN1CC=CC1.CN1CC=CS1
InChIInChI=1S/C5H9N.C4H7NS/c1-6-4-2-3-5-6;1-5-3-2-4-6-5/h2-3H,4-5H2,1H3;2,4H,3H2,1H3
InChIKeyXTDZNDNKXHMZPK-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.58
Rot. Bonds

About 1-methyl-2,5-dihydropyrrole;2-methyl-3H-1,2-thiazole

1-methyl-2,5-dihydropyrrole;2-methyl-3H-1,2-thiazole (PubChem CID 143282413) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 1-methyl-2,5-dihydropyrrole;2-methyl-3H-1,2-thiazole.

Molecular Properties

Compound Name1-methyl-2,5-dihydropyrrole;2-methyl-3H-1,2-thiazole
PubChem CID143282413
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name1-methyl-2,5-dihydropyrrole;2-methyl-3H-1,2-thiazole
SMILESCN1CC=CC1.CN1CC=CS1
InChIInChI=1S/C5H9N.C4H7NS/c1-6-4-2-3-5-6;1-5-3-2-4-6-5/h2-3H,4-5H2,1H3;2,4H,3H2,1H3
InChIKeyXTDZNDNKXHMZPK-UHFFFAOYSA-N
XLogP1.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-[2-(Dimethylamino)ethyl-methylamino]but-2-ene-1-thiol
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4-(Diethylamino)but-2-ene-1-thiol
CID 80018996
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CID 102998689
(E)-4-[3-(diethylamino)propyl-ethylamino]but-2-ene-1-thiol
CID 102998711
N-butylsulfanyl-N-prop-2-enylprop-2-en-1-amine
CID 142217398
(E)-N,N-dimethyl-3-pyrrolidin-1-ylsulfanylprop-2-en-1-amine
CID 166143943

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,5-dihydropyrrole;2-methyl-3H-1,2-thiazole?
The IUPAC name of 1-methyl-2,5-dihydropyrrole;2-methyl-3H-1,2-thiazole (CID 143282413) is 1-methyl-2,5-dihydropyrrole;2-methyl-3H-1,2-thiazole.
What is the SMILES notation for 1-methyl-2,5-dihydropyrrole;2-methyl-3H-1,2-thiazole?
The canonical SMILES for 1-methyl-2,5-dihydropyrrole;2-methyl-3H-1,2-thiazole is CN1CC=CC1.CN1CC=CS1.
What is the InChIKey of 1-methyl-2,5-dihydropyrrole;2-methyl-3H-1,2-thiazole?
The InChIKey is XTDZNDNKXHMZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.C4H7NS/c1-6-4-2-3-5-6;1-5-3-2-4-6-5/h2-3H,4-5H2,1H3;2,4H,3H2,1H3.
What are the key properties of 1-methyl-2,5-dihydropyrrole;2-methyl-3H-1,2-thiazole?
1-methyl-2,5-dihydropyrrole;2-methyl-3H-1,2-thiazole has a molecular weight of 184.31 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,5-dihydropyrrole;2-methyl-3H-1,2-thiazole is sourced from PubChem (CID 143282413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).