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

C11H20N2S2 — CID 62579563

IUPAC4-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pentan-1-amine
SMILESCC(C)CCCNCCSc1nccs1
InChIInChI=1S/C11H20N2S2/c1-10(2)4-3-5-12-6-8-14-11-13-7-9-15-11/h7,9-10,12H,3-6,8H2,1-2H3
InChIKeyDIIXEPKAVPRAOT-UHFFFAOYSA-N
MW244.43 g/mol
LogP3.26
Rot. Bonds8

About 4-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pentan-1-amine

4-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pentan-1-amine (PubChem CID 62579563) has the molecular formula C11H20N2S2 and a molecular weight of 244.43 g/mol. Its IUPAC name is 4-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pentan-1-amine
PubChem CID62579563
Molecular FormulaC11H20N2S2
Molecular Weight244.43 g/mol
Exact Mass244.11
IUPAC Name4-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pentan-1-amine
SMILESCC(C)CCCNCCSc1nccs1
InChIInChI=1S/C11H20N2S2/c1-10(2)4-3-5-12-6-8-14-11-13-7-9-15-11/h7,9-10,12H,3-6,8H2,1-2H3
InChIKeyDIIXEPKAVPRAOT-UHFFFAOYSA-N
XLogP3.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 53.26
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'}

Analyze 4-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 61386152
N-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 61386176
3-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]butan-2-amine
CID 62580844
N-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine
CID 64626311
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
1-methoxy-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]propan-2-amine
CID 115721340
3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 12923406
N-(pyridin-3-ylmethyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 62582290
N-(1,3-thiazol-4-ylmethyl)-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 115635490
2-(propylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanenitrile
CID 63054268
N,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine
CID 64626697

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pentan-1-amine?
The IUPAC name of 4-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pentan-1-amine (CID 62579563) is 4-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pentan-1-amine?
The canonical SMILES for 4-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pentan-1-amine is CC(C)CCCNCCSc1nccs1.
What is the InChIKey of 4-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pentan-1-amine?
The InChIKey is DIIXEPKAVPRAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S2/c1-10(2)4-3-5-12-6-8-14-11-13-7-9-15-11/h7,9-10,12H,3-6,8H2,1-2H3.
What are the key properties of 4-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pentan-1-amine?
4-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pentan-1-amine has a molecular weight of 244.43 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pentan-1-amine is sourced from PubChem (CID 62579563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).