2,2-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine

C13H23N3OS — CID 126813780

IUPAC2,2-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine
SMILESCc1nnc(CNC2CC(OC(C)C)C2(C)C)s1
InChIInChI=1S/C13H23N3OS/c1-8(2)17-11-6-10(13(11,4)5)14-7-12-16-15-9(3)18-12/h8,10-11,14H,6-7H2,1-5H3
InChIKeyXZNCOIDAQINTRL-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.53
Rot. Bonds5

About 2,2-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine

2,2-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine (PubChem CID 126813780) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine
PubChem CID126813780
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2,2-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine
SMILESCc1nnc(CNC2CC(OC(C)C)C2(C)C)s1
InChIInChI=1S/C13H23N3OS/c1-8(2)17-11-6-10(13(11,4)5)14-7-12-16-15-9(3)18-12/h8,10-11,14H,6-7H2,1-5H3
InChIKeyXZNCOIDAQINTRL-UHFFFAOYSA-N
XLogP2.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-yloxycyclobutan-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 2,2-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine (CID 126813780) is 2,2-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine is Cc1nnc(CNC2CC(OC(C)C)C2(C)C)s1.
What is the InChIKey of 2,2-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine?
The InChIKey is XZNCOIDAQINTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-8(2)17-11-6-10(13(11,4)5)14-7-12-16-15-9(3)18-12/h8,10-11,14H,6-7H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine?
2,2-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine is sourced from PubChem (CID 126813780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).