N-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine

C8H14N2S2 — CID 61386176

IUPACN-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
SMILESCCNCCCSc1nccs1
InChIInChI=1S/C8H14N2S2/c1-2-9-4-3-6-11-8-10-5-7-12-8/h5,7,9H,2-4,6H2,1H3
InChIKeyVTNMRJHYTBPGQF-UHFFFAOYSA-N
MW202.35 g/mol
LogP2.23
Rot. Bonds6

About N-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine

N-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine (PubChem CID 61386176) has the molecular formula C8H14N2S2 and a molecular weight of 202.35 g/mol. Its IUPAC name is N-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
PubChem CID61386176
Molecular FormulaC8H14N2S2
Molecular Weight202.35 g/mol
Exact Mass202.06
IUPAC NameN-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
SMILESCCNCCCSc1nccs1
InChIInChI=1S/C8H14N2S2/c1-2-9-4-3-6-11-8-10-5-7-12-8/h5,7,9H,2-4,6H2,1H3
InChIKeyVTNMRJHYTBPGQF-UHFFFAOYSA-N
XLogP2.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-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-[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
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-(1,3-thiazol-4-ylmethyl)-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 115635490
1-ethyl-2-propyl-3-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine
CID 111829023
3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 12923406
1-methoxy-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]propan-2-amine
CID 115721340
3-methyl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]cyclopentan-1-amine
CID 115684406
2-(9-bromononylsulfanyl)-1,3-thiazole
CID 105343460
1-ethyl-3-pentyl-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine
CID 111827461

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine?
The IUPAC name of N-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine (CID 61386176) is N-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine is CCNCCCSc1nccs1.
What is the InChIKey of N-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine?
The InChIKey is VTNMRJHYTBPGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S2/c1-2-9-4-3-6-11-8-10-5-7-12-8/h5,7,9H,2-4,6H2,1H3.
What are the key properties of N-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine?
N-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine has a molecular weight of 202.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 61386176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).