5-cyclopropyl-N-(3-propoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine

C12H22N2OS — CID 82943235

IUPAC5-cyclopropyl-N-(3-propoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCOCCCNC1=NCC(C2CC2)S1
InChIInChI=1S/C12H22N2OS/c1-2-7-15-8-3-6-13-12-14-9-11(16-12)10-4-5-10/h10-11H,2-9H2,1H3,(H,13,14)
InChIKeyCXKKYGBTQBKUFG-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.27
Rot. Bonds7

About 5-cyclopropyl-N-(3-propoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine

5-cyclopropyl-N-(3-propoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 82943235) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 5-cyclopropyl-N-(3-propoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(3-propoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID82943235
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name5-cyclopropyl-N-(3-propoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCOCCCNC1=NCC(C2CC2)S1
InChIInChI=1S/C12H22N2OS/c1-2-7-15-8-3-6-13-12-14-9-11(16-12)10-4-5-10/h10-11H,2-9H2,1H3,(H,13,14)
InChIKeyCXKKYGBTQBKUFG-UHFFFAOYSA-N
XLogP2.27
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.27
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 5-cyclopropyl-N-(3-propoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(3-propoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 82943235) is 5-cyclopropyl-N-(3-propoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(3-propoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(3-propoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine is CCCOCCCNC1=NCC(C2CC2)S1.
What is the InChIKey of 5-cyclopropyl-N-(3-propoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CXKKYGBTQBKUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-2-7-15-8-3-6-13-12-14-9-11(16-12)10-4-5-10/h10-11H,2-9H2,1H3,(H,13,14).
What are the key properties of 5-cyclopropyl-N-(3-propoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-(3-propoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(3-propoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 82943235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).