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

C13H22N2OS — CID 63826330

IUPACN-(2-cyclopentyloxyethyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1CCC(OCCNC2=NCC(C3CC3)S2)C1
InChIInChI=1S/C13H22N2OS/c1-2-4-11(3-1)16-8-7-14-13-15-9-12(17-13)10-5-6-10/h10-12H,1-9H2,(H,14,15)
InChIKeyQRBKIHUJVMQVPV-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.42
Rot. Bonds5

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

N-(2-cyclopentyloxyethyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63826330) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63826330
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-(2-cyclopentyloxyethyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1CCC(OCCNC2=NCC(C3CC3)S2)C1
InChIInChI=1S/C13H22N2OS/c1-2-4-11(3-1)16-8-7-14-13-15-9-12(17-13)10-5-6-10/h10-12H,1-9H2,(H,14,15)
InChIKeyQRBKIHUJVMQVPV-UHFFFAOYSA-N
XLogP2.42
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.42
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 N-(2-cyclopentyloxyethyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine (CID 63826330) is N-(2-cyclopentyloxyethyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine is C1CCC(OCCNC2=NCC(C3CC3)S2)C1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is QRBKIHUJVMQVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-2-4-11(3-1)16-8-7-14-13-15-9-12(17-13)10-5-6-10/h10-12H,1-9H2,(H,14,15).
What are the key properties of N-(2-cyclopentyloxyethyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-cyclopentyloxyethyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63826330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).