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

C10H20N2S — CID 104829030

IUPACN-(3,3-dimethylbutan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NC(C)C(C)(C)C)S1
InChIInChI=1S/C10H20N2S/c1-7-6-11-9(13-7)12-8(2)10(3,4)5/h7-8H,6H2,1-5H3,(H,11,12)
InChIKeyFVFFGPUXHHONAB-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.50
Rot. Bonds1

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

N-(3,3-dimethylbutan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 104829030) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID104829030
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC NameN-(3,3-dimethylbutan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NC(C)C(C)(C)C)S1
InChIInChI=1S/C10H20N2S/c1-7-6-11-9(13-7)12-8(2)10(3,4)5/h7-8H,6H2,1-5H3,(H,11,12)
InChIKeyFVFFGPUXHHONAB-UHFFFAOYSA-N
XLogP2.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 104829030) is N-(3,3-dimethylbutan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(NC(C)C(C)(C)C)S1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is FVFFGPUXHHONAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-7-6-11-9(13-7)12-8(2)10(3,4)5/h7-8H,6H2,1-5H3,(H,11,12).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(3,3-dimethylbutan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 200.35 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 104829030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).