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

C12H22N2S — CID 107858161

IUPACN-(1-ethylcyclobutyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1(NC2=NC(C(C)C)CS2)CCC1
InChIInChI=1S/C12H22N2S/c1-4-12(6-5-7-12)14-11-13-10(8-15-11)9(2)3/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyUAWUIUIDORZFRM-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.04
Rot. Bonds3

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

N-(1-ethylcyclobutyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107858161) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-(1-ethylcyclobutyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-ethylcyclobutyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107858161
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-(1-ethylcyclobutyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1(NC2=NC(C(C)C)CS2)CCC1
InChIInChI=1S/C12H22N2S/c1-4-12(6-5-7-12)14-11-13-10(8-15-11)9(2)3/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyUAWUIUIDORZFRM-UHFFFAOYSA-N
XLogP3.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclobutyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-ethylcyclobutyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 107858161) is N-(1-ethylcyclobutyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-ethylcyclobutyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-ethylcyclobutyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC1(NC2=NC(C(C)C)CS2)CCC1.
What is the InChIKey of N-(1-ethylcyclobutyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is UAWUIUIDORZFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-4-12(6-5-7-12)14-11-13-10(8-15-11)9(2)3/h9-10H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-(1-ethylcyclobutyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(1-ethylcyclobutyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 226.39 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclobutyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107858161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).