N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylbutan-2-amine

C13H21N3S — CID 43773872

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylbutan-2-amine
SMILESCc1nc2scc(C)n2c1CNC(C)C(C)C
InChIInChI=1S/C13H21N3S/c1-8(2)10(4)14-6-12-11(5)15-13-16(12)9(3)7-17-13/h7-8,10,14H,6H2,1-5H3
InChIKeyPCEXEQJSHPAJRA-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.15
Rot. Bonds4

About N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylbutan-2-amine

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylbutan-2-amine (PubChem CID 43773872) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylbutan-2-amine
PubChem CID43773872
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylbutan-2-amine
SMILESCc1nc2scc(C)n2c1CNC(C)C(C)C
InChIInChI=1S/C13H21N3S/c1-8(2)10(4)14-6-12-11(5)15-13-16(12)9(3)7-17-13/h7-8,10,14H,6H2,1-5H3
InChIKeyPCEXEQJSHPAJRA-UHFFFAOYSA-N
XLogP3.15
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylbutan-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-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylbutan-2-amine?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylbutan-2-amine (CID 43773872) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylbutan-2-amine is Cc1nc2scc(C)n2c1CNC(C)C(C)C.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylbutan-2-amine?
The InChIKey is PCEXEQJSHPAJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-8(2)10(4)14-6-12-11(5)15-13-16(12)9(3)7-17-13/h7-8,10,14H,6H2,1-5H3.
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylbutan-2-amine?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylbutan-2-amine has a molecular weight of 251.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methylbutan-2-amine is sourced from PubChem (CID 43773872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).