N-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine

C10H18N2S2 — CID 64626311

IUPACN-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine
SMILESCCNC(C)CCCSc1nccs1
InChIInChI=1S/C10H18N2S2/c1-3-11-9(2)5-4-7-13-10-12-6-8-14-10/h6,8-9,11H,3-5,7H2,1-2H3
InChIKeyUAUYYXIIOBXADH-UHFFFAOYSA-N
MW230.40 g/mol
LogP3.01
Rot. Bonds7

About N-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine

N-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine (PubChem CID 64626311) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is N-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine
PubChem CID64626311
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC NameN-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine
SMILESCCNC(C)CCCSc1nccs1
InChIInChI=1S/C10H18N2S2/c1-3-11-9(2)5-4-7-13-10-12-6-8-14-10/h6,8-9,11H,3-5,7H2,1-2H3
InChIKeyUAUYYXIIOBXADH-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 53.01
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

N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]butan-2-amine
CID 115721327
N-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 61386176
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
N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine
CID 115384098
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-5-(1H-imidazol-2-ylsulfanyl)pentan-2-amine
CID 107784010
3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 12923406
2-(propylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanenitrile
CID 63054268
N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 61386152
2-(9-bromononylsulfanyl)-1,3-thiazole
CID 105343460

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine?
The IUPAC name of N-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine (CID 64626311) is N-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine.
What is the SMILES notation for N-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine?
The canonical SMILES for N-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine is CCNC(C)CCCSc1nccs1.
What is the InChIKey of N-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine?
The InChIKey is UAUYYXIIOBXADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-3-11-9(2)5-4-7-13-10-12-6-8-14-10/h6,8-9,11H,3-5,7H2,1-2H3.
What are the key properties of N-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine?
N-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine has a molecular weight of 230.40 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine is sourced from PubChem (CID 64626311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).