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

C9H18N2S — CID 43439570

IUPACN-butan-2-yl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC(C)CC)=N1
InChIInChI=1S/C9H18N2S/c1-4-7(3)10-9-11-8(5-2)6-12-9/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyHNCWKDRIMSJVPJ-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.26
Rot. Bonds3

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

N-butan-2-yl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43439570) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N-butan-2-yl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43439570
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN-butan-2-yl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC(C)CC)=N1
InChIInChI=1S/C9H18N2S/c1-4-7(3)10-9-11-8(5-2)6-12-9/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyHNCWKDRIMSJVPJ-UHFFFAOYSA-N
XLogP2.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-butan-2-yl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43439570) is N-butan-2-yl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-butan-2-yl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(NC(C)CC)=N1.
What is the InChIKey of N-butan-2-yl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is HNCWKDRIMSJVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-4-7(3)10-9-11-8(5-2)6-12-9/h7-8H,4-6H2,1-3H3,(H,10,11).
What are the key properties of N-butan-2-yl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
N-butan-2-yl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 186.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43439570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).