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

C12H22N2S — CID 106285186

IUPACN-(2-methylcyclopropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NC2CC2C)S1
InChIInChI=1S/C12H22N2S/c1-4-9(5-2)11-7-13-12(15-11)14-10-6-8(10)3/h8-11H,4-7H2,1-3H3,(H,13,14)
InChIKeySKSSVODPZVEJGG-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.89
Rot. Bonds4

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

N-(2-methylcyclopropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106285186) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-(2-methylcyclopropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylcyclopropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106285186
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-(2-methylcyclopropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NC2CC2C)S1
InChIInChI=1S/C12H22N2S/c1-4-9(5-2)11-7-13-12(15-11)14-10-6-8(10)3/h8-11H,4-7H2,1-3H3,(H,13,14)
InChIKeySKSSVODPZVEJGG-UHFFFAOYSA-N
XLogP2.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methylcyclopropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106285186) is N-(2-methylcyclopropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methylcyclopropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methylcyclopropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NC2CC2C)S1.
What is the InChIKey of N-(2-methylcyclopropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is SKSSVODPZVEJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-4-9(5-2)11-7-13-12(15-11)14-10-6-8(10)3/h8-11H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N-(2-methylcyclopropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-methylcyclopropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 226.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106285186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).