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

C10H18N2S2 — CID 62580844

IUPAC3-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]butan-2-amine
SMILESCC(C)C(C)NCCSc1nccs1
InChIInChI=1S/C10H18N2S2/c1-8(2)9(3)11-4-6-13-10-12-5-7-14-10/h5,7-9,11H,4,6H2,1-3H3
InChIKeyCGVMNMIAWBOCLL-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.87
Rot. Bonds6

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

3-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]butan-2-amine (PubChem CID 62580844) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 3-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]butan-2-amine
PubChem CID62580844
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC Name3-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]butan-2-amine
SMILESCC(C)C(C)NCCSc1nccs1
InChIInChI=1S/C10H18N2S2/c1-8(2)9(3)11-4-6-13-10-12-5-7-14-10/h5,7-9,11H,4,6H2,1-3H3
InChIKeyCGVMNMIAWBOCLL-UHFFFAOYSA-N
XLogP2.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.87
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-[3-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-2-amine
CID 115721318
N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 61386152
4-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pentan-1-amine
CID 62579563
N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]butan-2-amine
CID 115721327
N-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine
CID 64626311
1-methoxy-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]propan-2-amine
CID 115721340
N-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 61386176
2-(propylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanenitrile
CID 63054268
1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine
CID 64628516
3-methyl-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]butan-2-amine
CID 62582326
3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 12923406
N,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine
CID 64626697

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]butan-2-amine?
The IUPAC name of 3-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]butan-2-amine (CID 62580844) is 3-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]butan-2-amine.
What is the SMILES notation for 3-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]butan-2-amine?
The canonical SMILES for 3-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]butan-2-amine is CC(C)C(C)NCCSc1nccs1.
What is the InChIKey of 3-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]butan-2-amine?
The InChIKey is CGVMNMIAWBOCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-8(2)9(3)11-4-6-13-10-12-5-7-14-10/h5,7-9,11H,4,6H2,1-3H3.
What are the key properties of 3-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]butan-2-amine?
3-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]butan-2-amine has a molecular weight of 230.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]butan-2-amine is sourced from PubChem (CID 62580844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).