N-methyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine

C8H14N2S2 — CID 64626494

IUPACN-methyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine
SMILESCCC(CSc1nccs1)NC
InChIInChI=1S/C8H14N2S2/c1-3-7(9-2)6-12-8-10-4-5-11-8/h4-5,7,9H,3,6H2,1-2H3
InChIKeyCMYNDEIWGFEIAA-UHFFFAOYSA-N
MW202.35 g/mol
LogP2.23
Rot. Bonds5

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

N-methyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine (PubChem CID 64626494) has the molecular formula C8H14N2S2 and a molecular weight of 202.35 g/mol. Its IUPAC name is N-methyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine
PubChem CID64626494
Molecular FormulaC8H14N2S2
Molecular Weight202.35 g/mol
Exact Mass202.06
IUPAC NameN-methyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine
SMILESCCC(CSc1nccs1)NC
InChIInChI=1S/C8H14N2S2/c1-3-7(9-2)6-12-8-10-4-5-11-8/h4-5,7,9H,3,6H2,1-2H3
InChIKeyCMYNDEIWGFEIAA-UHFFFAOYSA-N
XLogP2.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine
CID 64626307
N,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine
CID 64626697
1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine
CID 64628516
N-methyl-1-pyrimidin-2-ylsulfanylbutan-2-amine
CID 64648831
N-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64627300
N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 61386152
N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]butan-2-amine
CID 115721327
N-[1-(4-propan-2-ylphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethyl]propan-1-amine
CID 64626706
N-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824156
2-(2-bromo-3,3,3-trifluoropropyl)sulfanyl-1,3-thiazole
CID 64758728
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine?
The IUPAC name of N-methyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine (CID 64626494) is N-methyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine.
What is the SMILES notation for N-methyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine?
The canonical SMILES for N-methyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine is CCC(CSc1nccs1)NC.
What is the InChIKey of N-methyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine?
The InChIKey is CMYNDEIWGFEIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S2/c1-3-7(9-2)6-12-8-10-4-5-11-8/h4-5,7,9H,3,6H2,1-2H3.
What are the key properties of N-methyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine?
N-methyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine has a molecular weight of 202.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine is sourced from PubChem (CID 64626494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).