N-[[1-(dimethylamino)cyclobutyl]methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine

C13H25N3S — CID 105419351

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(NCC2(N(C)C)CCC2)S1
InChIInChI=1S/C13H25N3S/c1-4-6-11-9-14-12(17-11)15-10-13(16(2)3)7-5-8-13/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyNXYAPLMKDOVBFQ-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.33
Rot. Bonds5

About N-[[1-(dimethylamino)cyclobutyl]methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine

N-[[1-(dimethylamino)cyclobutyl]methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 105419351) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID105419351
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(NCC2(N(C)C)CCC2)S1
InChIInChI=1S/C13H25N3S/c1-4-6-11-9-14-12(17-11)15-10-13(16(2)3)7-5-8-13/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyNXYAPLMKDOVBFQ-UHFFFAOYSA-N
XLogP2.33
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(dimethylamino)cyclobutyl]methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-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-[[1-(dimethylamino)cyclobutyl]methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine (CID 105419351) is N-[[1-(dimethylamino)cyclobutyl]methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine is CCCC1CN=C(NCC2(N(C)C)CCC2)S1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NXYAPLMKDOVBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-4-6-11-9-14-12(17-11)15-10-13(16(2)3)7-5-8-13/h11H,4-10H2,1-3H3,(H,14,15).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 105419351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).