N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine

C6H10N2S2 — CID 61386152

IUPACN-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
SMILESCNCCSc1nccs1
InChIInChI=1S/C6H10N2S2/c1-7-2-4-9-6-8-3-5-10-6/h3,5,7H,2,4H2,1H3
InChIKeyVBDCNIWVFZOSCB-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.45
Rot. Bonds4

About N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine

N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine (PubChem CID 61386152) has the molecular formula C6H10N2S2 and a molecular weight of 174.29 g/mol. Its IUPAC name is N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
PubChem CID61386152
Molecular FormulaC6H10N2S2
Molecular Weight174.29 g/mol
Exact Mass174.03
IUPAC NameN-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
SMILESCNCCSc1nccs1
InChIInChI=1S/C6H10N2S2/c1-7-2-4-9-6-8-3-5-10-6/h3,5,7H,2,4H2,1H3
InChIKeyVBDCNIWVFZOSCB-UHFFFAOYSA-N
XLogP1.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]butan-2-amine
CID 62580844
4-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pentan-1-amine
CID 62579563
N-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 61386176
3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 12923406
N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]butan-2-amine
CID 115721327
3-methyl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-2-amine
CID 115721318
N-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine
CID 64626311
N-methyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine
CID 64626494
2-(9-bromononylsulfanyl)-1,3-thiazole
CID 105343460
1-methoxy-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]propan-2-amine
CID 115721340
N-(pyridin-3-ylmethyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 62582290
2-(propylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanenitrile
CID 63054268

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine?
The IUPAC name of N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine (CID 61386152) is N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine is CNCCSc1nccs1.
What is the InChIKey of N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine?
The InChIKey is VBDCNIWVFZOSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S2/c1-7-2-4-9-6-8-3-5-10-6/h3,5,7H,2,4H2,1H3.
What are the key properties of N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine?
N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine has a molecular weight of 174.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 61386152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).