N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine

C12H20N2OS2 — CID 62577678

IUPACN-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCc1csc(SCCNC(C)C2CCCO2)n1
InChIInChI=1S/C12H20N2OS2/c1-9-8-17-12(14-9)16-7-5-13-10(2)11-4-3-6-15-11/h8,10-11,13H,3-7H2,1-2H3
InChIKeyNYVSVQUKJHLMJK-UHFFFAOYSA-N
MW272.44 g/mol
LogP2.70
Rot. Bonds6

About N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine

N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 62577678) has the molecular formula C12H20N2OS2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine
PubChem CID62577678
Molecular FormulaC12H20N2OS2
Molecular Weight272.44 g/mol
Exact Mass272.10
IUPAC NameN-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCc1csc(SCCNC(C)C2CCCO2)n1
InChIInChI=1S/C12H20N2OS2/c1-9-8-17-12(14-9)16-7-5-13-10(2)11-4-3-6-15-11/h8,10-11,13H,3-7H2,1-2H3
InChIKeyNYVSVQUKJHLMJK-UHFFFAOYSA-N
XLogP2.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine
CID 62577213
N-[2-(4-tert-butylphenyl)sulfanylethyl]-1-(oxolan-2-yl)ethanamine
CID 62579125
N-[2-(2,5-dimethylphenyl)sulfanylethyl]-1-(oxolan-2-yl)ethanamine
CID 62584856
1-(oxolan-2-yl)-N-(2-pyridin-2-ylsulfanylethyl)ethanamine
CID 62579205
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 115479076
N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 62577060
1-(oxolan-2-yl)-N-(2-pentylsulfanylethyl)ethanamine
CID 107757086
N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43432082
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine
CID 28973023
(1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 99821207
4-[[1-(oxolan-2-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103238624
(1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine
CID 93257811

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine (CID 62577678) is N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine is Cc1csc(SCCNC(C)C2CCCO2)n1.
What is the InChIKey of N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is NYVSVQUKJHLMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS2/c1-9-8-17-12(14-9)16-7-5-13-10(2)11-4-3-6-15-11/h8,10-11,13H,3-7H2,1-2H3.
What are the key properties of N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine?
N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 272.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 62577678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).