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

C8H16N2S — CID 43439567

IUPACN-butan-2-yl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(C)NC1=NC(C)CS1
InChIInChI=1S/C8H16N2S/c1-4-6(2)9-8-10-7(3)5-11-8/h6-7H,4-5H2,1-3H3,(H,9,10)
InChIKeyVDBOKRDXSPBGLJ-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.87
Rot. Bonds2

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

N-butan-2-yl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43439567) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is N-butan-2-yl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43439567
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC NameN-butan-2-yl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(C)NC1=NC(C)CS1
InChIInChI=1S/C8H16N2S/c1-4-6(2)9-8-10-7(3)5-11-8/h6-7H,4-5H2,1-3H3,(H,9,10)
InChIKeyVDBOKRDXSPBGLJ-UHFFFAOYSA-N
XLogP1.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.87
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-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-butan-2-yl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43439567) is N-butan-2-yl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-butan-2-yl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is CCC(C)NC1=NC(C)CS1.
What is the InChIKey of N-butan-2-yl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is VDBOKRDXSPBGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-4-6(2)9-8-10-7(3)5-11-8/h6-7H,4-5H2,1-3H3,(H,9,10).
What are the key properties of N-butan-2-yl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-butan-2-yl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 172.30 g/mol, XLogP of 1.87, 2 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-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43439567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).