N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-ethoxycyclobutan-1-amine

C10H15ClN2OS — CID 102610357

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NCc2ncc(Cl)s2)C1
InChIInChI=1S/C10H15ClN2OS/c1-2-14-8-3-7(4-8)12-6-10-13-5-9(11)15-10/h5,7-8,12H,2-4,6H2,1H3
InChIKeyHERYBQUEMQUZMH-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.45
Rot. Bonds5

About N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-ethoxycyclobutan-1-amine

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-ethoxycyclobutan-1-amine (PubChem CID 102610357) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-ethoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-ethoxycyclobutan-1-amine
PubChem CID102610357
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NCc2ncc(Cl)s2)C1
InChIInChI=1S/C10H15ClN2OS/c1-2-14-8-3-7(4-8)12-6-10-13-5-9(11)15-10/h5,7-8,12H,2-4,6H2,1H3
InChIKeyHERYBQUEMQUZMH-UHFFFAOYSA-N
XLogP2.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-ethoxycyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-ethoxycyclobutan-1-amine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-ethoxycyclobutan-1-amine (CID 102610357) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-ethoxycyclobutan-1-amine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-ethoxycyclobutan-1-amine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-ethoxycyclobutan-1-amine is CCOC1CC(NCc2ncc(Cl)s2)C1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-ethoxycyclobutan-1-amine?
The InChIKey is HERYBQUEMQUZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-2-14-8-3-7(4-8)12-6-10-13-5-9(11)15-10/h5,7-8,12H,2-4,6H2,1H3.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-ethoxycyclobutan-1-amine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-ethoxycyclobutan-1-amine has a molecular weight of 246.76 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-ethoxycyclobutan-1-amine is sourced from PubChem (CID 102610357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).