1-[4,5-dihydro-1,3-thiazol-2-yl(methyl)amino]propane-2-thiol

C7H14N2S2 — CID 142894457

IUPAC1-[4,5-dihydro-1,3-thiazol-2-yl(methyl)amino]propane-2-thiol
SMILESCC(S)CN(C)C1=NCCS1
InChIInChI=1S/C7H14N2S2/c1-6(10)5-9(2)7-8-3-4-11-7/h6,10H,3-5H2,1-2H3
InChIKeyOQDHLRNOQYXSLM-UHFFFAOYSA-N
MW190.34 g/mol
LogP1.34
Rot. Bonds2

About 1-[4,5-dihydro-1,3-thiazol-2-yl(methyl)amino]propane-2-thiol

1-[4,5-dihydro-1,3-thiazol-2-yl(methyl)amino]propane-2-thiol (PubChem CID 142894457) has the molecular formula C7H14N2S2 and a molecular weight of 190.34 g/mol. Its IUPAC name is 1-[4,5-dihydro-1,3-thiazol-2-yl(methyl)amino]propane-2-thiol.

Molecular Properties

Compound Name1-[4,5-dihydro-1,3-thiazol-2-yl(methyl)amino]propane-2-thiol
PubChem CID142894457
Molecular FormulaC7H14N2S2
Molecular Weight190.34 g/mol
Exact Mass190.06
IUPAC Name1-[4,5-dihydro-1,3-thiazol-2-yl(methyl)amino]propane-2-thiol
SMILESCC(S)CN(C)C1=NCCS1
InChIInChI=1S/C7H14N2S2/c1-6(10)5-9(2)7-8-3-4-11-7/h6,10H,3-5H2,1-2H3
InChIKeyOQDHLRNOQYXSLM-UHFFFAOYSA-N
XLogP1.34
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4,5-Dihydro-1,3-thiazol-2-yl)azetidine-3-thiol
CID 9815365
2-Dimethylaminothiazoline
CID 12217249
N,3-dimethyl-1,3-thiazolidin-2-imine
CID 13914821
2-Methylimino-3,5-dimethylthiazolidine
CID 12718849
5-Methyl-2-N-methylethylamino-2-thiazoline
CID 588515
N,N-diethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 12718866
1-(4,5-Dihydrothiazol-2-yl)azetidine-3-thiol hydrochloride
CID 11974883
N,N,5-trimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 12718867
N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 18728209
N-ethyl-N-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 18728211
2-(Azetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 23225616
N,N-diethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 45088552

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-dihydro-1,3-thiazol-2-yl(methyl)amino]propane-2-thiol?
The IUPAC name of 1-[4,5-dihydro-1,3-thiazol-2-yl(methyl)amino]propane-2-thiol (CID 142894457) is 1-[4,5-dihydro-1,3-thiazol-2-yl(methyl)amino]propane-2-thiol.
What is the SMILES notation for 1-[4,5-dihydro-1,3-thiazol-2-yl(methyl)amino]propane-2-thiol?
The canonical SMILES for 1-[4,5-dihydro-1,3-thiazol-2-yl(methyl)amino]propane-2-thiol is CC(S)CN(C)C1=NCCS1.
What is the InChIKey of 1-[4,5-dihydro-1,3-thiazol-2-yl(methyl)amino]propane-2-thiol?
The InChIKey is OQDHLRNOQYXSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S2/c1-6(10)5-9(2)7-8-3-4-11-7/h6,10H,3-5H2,1-2H3.
What are the key properties of 1-[4,5-dihydro-1,3-thiazol-2-yl(methyl)amino]propane-2-thiol?
1-[4,5-dihydro-1,3-thiazol-2-yl(methyl)amino]propane-2-thiol has a molecular weight of 190.34 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-dihydro-1,3-thiazol-2-yl(methyl)amino]propane-2-thiol is sourced from PubChem (CID 142894457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).