5-cyclopropyl-N-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C13H24N2OS — CID 63296576

IUPAC5-cyclopropyl-N-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CCOCCNC1=NCC(C2CC2)S1
InChIInChI=1S/C13H24N2OS/c1-10(2)5-7-16-8-6-14-13-15-9-12(17-13)11-3-4-11/h10-12H,3-9H2,1-2H3,(H,14,15)
InChIKeyHBFALTCNYOUJOE-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.52
Rot. Bonds7

About 5-cyclopropyl-N-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

5-cyclopropyl-N-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63296576) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63296576
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name5-cyclopropyl-N-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CCOCCNC1=NCC(C2CC2)S1
InChIInChI=1S/C13H24N2OS/c1-10(2)5-7-16-8-6-14-13-15-9-12(17-13)11-3-4-11/h10-12H,3-9H2,1-2H3,(H,14,15)
InChIKeyHBFALTCNYOUJOE-UHFFFAOYSA-N
XLogP2.52
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.52
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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Related Compounds

5-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63828097
N-[2-(2,2-difluoroethoxy)ethyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 105916878
5-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 105916890
5-pentan-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106285293
5-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154415
5-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 113492478
N-[2-(2,2-difluoroethoxy)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114128335
N-[2-(2,2-difluoroethoxy)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114168436
N-(1-methoxypropan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61246534
N-(1-ethoxypropan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61850076
N-[2-(3-methylbutoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61881793
N-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 61881794

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 63296576) is 5-cyclopropyl-N-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CCOCCNC1=NCC(C2CC2)S1.
What is the InChIKey of 5-cyclopropyl-N-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is HBFALTCNYOUJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-10(2)5-7-16-8-6-14-13-15-9-12(17-13)11-3-4-11/h10-12H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 5-cyclopropyl-N-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 256.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63296576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).