4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-pentyl-1,3-thiazol-2-amine

C14H25N3S — CID 63915980

IUPAC4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-pentyl-1,3-thiazol-2-amine
SMILESCCCCCN(C)c1nc(C2CC2)c(CNC)s1
InChIInChI=1S/C14H25N3S/c1-4-5-6-9-17(3)14-16-13(11-7-8-11)12(18-14)10-15-2/h11,15H,4-10H2,1-3H3
InChIKeyVMFBSYNUYLLSLN-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.37
Rot. Bonds8

About 4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-pentyl-1,3-thiazol-2-amine

4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-pentyl-1,3-thiazol-2-amine (PubChem CID 63915980) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-pentyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-pentyl-1,3-thiazol-2-amine
PubChem CID63915980
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-pentyl-1,3-thiazol-2-amine
SMILESCCCCCN(C)c1nc(C2CC2)c(CNC)s1
InChIInChI=1S/C14H25N3S/c1-4-5-6-9-17(3)14-16-13(11-7-8-11)12(18-14)10-15-2/h11,15H,4-10H2,1-3H3
InChIKeyVMFBSYNUYLLSLN-UHFFFAOYSA-N
XLogP3.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.37
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-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-pentyl-1,3-thiazol-2-amine?
The IUPAC name of 4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-pentyl-1,3-thiazol-2-amine (CID 63915980) is 4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-pentyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-pentyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-pentyl-1,3-thiazol-2-amine is CCCCCN(C)c1nc(C2CC2)c(CNC)s1.
What is the InChIKey of 4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-pentyl-1,3-thiazol-2-amine?
The InChIKey is VMFBSYNUYLLSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-5-6-9-17(3)14-16-13(11-7-8-11)12(18-14)10-15-2/h11,15H,4-10H2,1-3H3.
What are the key properties of 4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-pentyl-1,3-thiazol-2-amine?
4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-pentyl-1,3-thiazol-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-pentyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63915980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).