4-methoxy-N,N-dimethyl-5-[(3-pyrrolidin-1-ylpropylamino)methyl]-1,3-thiazol-2-amine

C14H26N4OS — CID 43665170

IUPAC4-methoxy-N,N-dimethyl-5-[(3-pyrrolidin-1-ylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNCCCN1CCCC1
InChIInChI=1S/C14H26N4OS/c1-17(2)14-16-13(19-3)12(20-14)11-15-7-6-10-18-8-4-5-9-18/h15H,4-11H2,1-3H3
InChIKeyUWLDYDYULBIYHB-UHFFFAOYSA-N
MW298.46 g/mol
LogP1.79
Rot. Bonds8

About 4-methoxy-N,N-dimethyl-5-[(3-pyrrolidin-1-ylpropylamino)methyl]-1,3-thiazol-2-amine

4-methoxy-N,N-dimethyl-5-[(3-pyrrolidin-1-ylpropylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 43665170) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-5-[(3-pyrrolidin-1-ylpropylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-5-[(3-pyrrolidin-1-ylpropylamino)methyl]-1,3-thiazol-2-amine
PubChem CID43665170
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name4-methoxy-N,N-dimethyl-5-[(3-pyrrolidin-1-ylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNCCCN1CCCC1
InChIInChI=1S/C14H26N4OS/c1-17(2)14-16-13(19-3)12(20-14)11-15-7-6-10-18-8-4-5-9-18/h15H,4-11H2,1-3H3
InChIKeyUWLDYDYULBIYHB-UHFFFAOYSA-N
XLogP1.79
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxy-N,N-dimethyl-5-[(3-pyrrolidin-1-ylpropylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methoxy-N,N-dimethyl-5-[(3-pyrrolidin-1-ylpropylamino)methyl]-1,3-thiazol-2-amine (CID 43665170) is 4-methoxy-N,N-dimethyl-5-[(3-pyrrolidin-1-ylpropylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-5-[(3-pyrrolidin-1-ylpropylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methoxy-N,N-dimethyl-5-[(3-pyrrolidin-1-ylpropylamino)methyl]-1,3-thiazol-2-amine is COc1nc(N(C)C)sc1CNCCCN1CCCC1.
What is the InChIKey of 4-methoxy-N,N-dimethyl-5-[(3-pyrrolidin-1-ylpropylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is UWLDYDYULBIYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-17(2)14-16-13(19-3)12(20-14)11-15-7-6-10-18-8-4-5-9-18/h15H,4-11H2,1-3H3.
What are the key properties of 4-methoxy-N,N-dimethyl-5-[(3-pyrrolidin-1-ylpropylamino)methyl]-1,3-thiazol-2-amine?
4-methoxy-N,N-dimethyl-5-[(3-pyrrolidin-1-ylpropylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 298.46 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-5-[(3-pyrrolidin-1-ylpropylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43665170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).