N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine

C8H16N2S — CID 43148923

IUPACN-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C(C)NC1=NCCS1
InChIInChI=1S/C8H16N2S/c1-6(2)7(3)10-8-9-4-5-11-8/h6-7H,4-5H2,1-3H3,(H,9,10)
InChIKeyIYMLSBUKKZYMEG-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.72
Rot. Bonds2

About N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine

N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43148923) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43148923
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC NameN-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C(C)NC1=NCCS1
InChIInChI=1S/C8H16N2S/c1-6(2)7(3)10-8-9-4-5-11-8/h6-7H,4-5H2,1-3H3,(H,9,10)
InChIKeyIYMLSBUKKZYMEG-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 43148923) is N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)C(C)NC1=NCCS1.
What is the InChIKey of N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is IYMLSBUKKZYMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-6(2)7(3)10-8-9-4-5-11-8/h6-7H,4-5H2,1-3H3,(H,9,10).
What are the key properties of N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 172.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43148923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).