N-[[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine

C14H18N2O2S — CID 82437446

IUPACN-[[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1sc(-c2ccco2)nc1C1CC1
InChIInChI=1S/C14H18N2O2S/c1-17-8-6-15-9-12-13(10-4-5-10)16-14(19-12)11-3-2-7-18-11/h2-3,7,10,15H,4-6,8-9H2,1H3
InChIKeyWHPPYFYMKSXDBN-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.02
Rot. Bonds7

About N-[[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine

N-[[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 82437446) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID82437446
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1sc(-c2ccco2)nc1C1CC1
InChIInChI=1S/C14H18N2O2S/c1-17-8-6-15-9-12-13(10-4-5-10)16-14(19-12)11-3-2-7-18-11/h2-3,7,10,15H,4-6,8-9H2,1H3
InChIKeyWHPPYFYMKSXDBN-UHFFFAOYSA-N
XLogP3.02
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.02
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 N-[[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine (CID 82437446) is N-[[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine is COCCNCc1sc(-c2ccco2)nc1C1CC1.
What is the InChIKey of N-[[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is WHPPYFYMKSXDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-17-8-6-15-9-12-13(10-4-5-10)16-14(19-12)11-3-2-7-18-11/h2-3,7,10,15H,4-6,8-9H2,1H3.
What are the key properties of N-[[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine?
N-[[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 278.38 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 82437446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).