N-butyl-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine

C9H18N2S — CID 57267819

IUPACN-butyl-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCNC1=NCC(CC)S1
InChIInChI=1S/C9H18N2S/c1-3-5-6-10-9-11-7-8(4-2)12-9/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyBMWKCJUCAFYKPR-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.26
Rot. Bonds4

About N-butyl-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine

N-butyl-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 57267819) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N-butyl-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butyl-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID57267819
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN-butyl-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCNC1=NCC(CC)S1
InChIInChI=1S/C9H18N2S/c1-3-5-6-10-9-11-7-8(4-2)12-9/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyBMWKCJUCAFYKPR-UHFFFAOYSA-N
XLogP2.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-butyl-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine (CID 57267819) is N-butyl-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-butyl-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-butyl-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine is CCCCNC1=NCC(CC)S1.
What is the InChIKey of N-butyl-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BMWKCJUCAFYKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-3-5-6-10-9-11-7-8(4-2)12-9/h8H,3-7H2,1-2H3,(H,10,11).
What are the key properties of N-butyl-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
N-butyl-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 186.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 57267819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).