4,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine

C12H21N3OS — CID 65169426

IUPAC4,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCCCN2CCOCC2)sc1C
InChIInChI=1S/C12H21N3OS/c1-10-11(2)17-12(14-10)13-4-3-5-15-6-8-16-9-7-15/h3-9H2,1-2H3,(H,13,14)
InChIKeyAWIMRCMIZARPGS-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.89
Rot. Bonds5

About 4,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine

4,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine (PubChem CID 65169426) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
PubChem CID65169426
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCCCN2CCOCC2)sc1C
InChIInChI=1S/C12H21N3OS/c1-10-11(2)17-12(14-10)13-4-3-5-15-6-8-16-9-7-15/h3-9H2,1-2H3,(H,13,14)
InChIKeyAWIMRCMIZARPGS-UHFFFAOYSA-N
XLogP1.89
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine (CID 65169426) is 4,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine is Cc1nc(NCCCN2CCOCC2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine?
The InChIKey is AWIMRCMIZARPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-10-11(2)17-12(14-10)13-4-3-5-15-6-8-16-9-7-15/h3-9H2,1-2H3,(H,13,14).
What are the key properties of 4,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine?
4,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine has a molecular weight of 255.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 65169426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).