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

C12H24N2S — CID 61247267

IUPACN-(2-methylbutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(C)(C)NC1=NC(CC(C)C)CS1
InChIInChI=1S/C12H24N2S/c1-6-12(4,5)14-11-13-10(8-15-11)7-9(2)3/h9-10H,6-8H2,1-5H3,(H,13,14)
InChIKeyBYSGRPMYLSTPCD-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.28
Rot. Bonds4

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

N-(2-methylbutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 61247267) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID61247267
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-(2-methylbutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(C)(C)NC1=NC(CC(C)C)CS1
InChIInChI=1S/C12H24N2S/c1-6-12(4,5)14-11-13-10(8-15-11)7-9(2)3/h9-10H,6-8H2,1-5H3,(H,13,14)
InChIKeyBYSGRPMYLSTPCD-UHFFFAOYSA-N
XLogP3.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methylbutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 61247267) is N-(2-methylbutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methylbutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methylbutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CCC(C)(C)NC1=NC(CC(C)C)CS1.
What is the InChIKey of N-(2-methylbutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BYSGRPMYLSTPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-6-12(4,5)14-11-13-10(8-15-11)7-9(2)3/h9-10H,6-8H2,1-5H3,(H,13,14).
What are the key properties of N-(2-methylbutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-methylbutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 228.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 61247267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).