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

C13H24N4OS — CID 43665166

IUPAC4-methoxy-N,N-dimethyl-5-[(2-pyrrolidin-1-ylethylamino)methyl]-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNCCN1CCCC1
InChIInChI=1S/C13H24N4OS/c1-16(2)13-15-12(18-3)11(19-13)10-14-6-9-17-7-4-5-8-17/h14H,4-10H2,1-3H3
InChIKeySQOABKBUJCQJJK-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.40
Rot. Bonds7

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

4-methoxy-N,N-dimethyl-5-[(2-pyrrolidin-1-ylethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 43665166) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-5-[(2-pyrrolidin-1-ylethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-5-[(2-pyrrolidin-1-ylethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID43665166
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name4-methoxy-N,N-dimethyl-5-[(2-pyrrolidin-1-ylethylamino)methyl]-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNCCN1CCCC1
InChIInChI=1S/C13H24N4OS/c1-16(2)13-15-12(18-3)11(19-13)10-14-6-9-17-7-4-5-8-17/h14H,4-10H2,1-3H3
InChIKeySQOABKBUJCQJJK-UHFFFAOYSA-N
XLogP1.40
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.40
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-[(2-pyrrolidin-1-ylethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methoxy-N,N-dimethyl-5-[(2-pyrrolidin-1-ylethylamino)methyl]-1,3-thiazol-2-amine (CID 43665166) is 4-methoxy-N,N-dimethyl-5-[(2-pyrrolidin-1-ylethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-5-[(2-pyrrolidin-1-ylethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methoxy-N,N-dimethyl-5-[(2-pyrrolidin-1-ylethylamino)methyl]-1,3-thiazol-2-amine is COc1nc(N(C)C)sc1CNCCN1CCCC1.
What is the InChIKey of 4-methoxy-N,N-dimethyl-5-[(2-pyrrolidin-1-ylethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is SQOABKBUJCQJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-16(2)13-15-12(18-3)11(19-13)10-14-6-9-17-7-4-5-8-17/h14H,4-10H2,1-3H3.
What are the key properties of 4-methoxy-N,N-dimethyl-5-[(2-pyrrolidin-1-ylethylamino)methyl]-1,3-thiazol-2-amine?
4-methoxy-N,N-dimethyl-5-[(2-pyrrolidin-1-ylethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 284.43 g/mol, XLogP of 1.40, 7 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-[(2-pyrrolidin-1-ylethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43665166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).