4-tert-butyl-N,N-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine

C13H25N3S — CID 55113095

IUPAC4-tert-butyl-N,N-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)C)nc1C(C)(C)C
InChIInChI=1S/C13H25N3S/c1-7-8-14-9-10-11(13(2,3)4)15-12(17-10)16(5)6/h14H,7-9H2,1-6H3
InChIKeyJWLLBJWGEXUKQF-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.01
Rot. Bonds5

About 4-tert-butyl-N,N-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine

4-tert-butyl-N,N-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 55113095) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 4-tert-butyl-N,N-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N,N-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID55113095
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name4-tert-butyl-N,N-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)C)nc1C(C)(C)C
InChIInChI=1S/C13H25N3S/c1-7-8-14-9-10-11(13(2,3)4)15-12(17-10)16(5)6/h14H,7-9H2,1-6H3
InChIKeyJWLLBJWGEXUKQF-UHFFFAOYSA-N
XLogP3.01
TPSA28.16 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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N,N-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 55113095) is 4-tert-butyl-N,N-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N,N-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N,N-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1sc(N(C)C)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N,N-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is JWLLBJWGEXUKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-7-8-14-9-10-11(13(2,3)4)15-12(17-10)16(5)6/h14H,7-9H2,1-6H3.
What are the key properties of 4-tert-butyl-N,N-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
4-tert-butyl-N,N-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55113095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).