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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Related Compounds

N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2567479
N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]furan-2-carboxamide
CID 7202369
N-{2-[4-Methyl-2-(4-methylphenyl)-1,3-thiazol-5-YL]ethyl}furan-2-carboxamide
CID 7202389
N-(furan-2-ylmethyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 2127084
N-{2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}furan-2-carboxamide
CID 7202379
2-bromo-N-(2-furylmethyl)-5-isopropyl-1,3-thiazole-4-carboxamide
CID 71709637
(2-(Furan-2-yl)-1,3-thiazol-4-yl)methanamine
CID 60718965
N-{2-[2-(4-Fluorophenyl)-4-methyl-1,3-thiazol-5-YL]ethyl}furan-2-carboxamide
CID 7207744
N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 33401450
N-ethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
CID 36956866
N-(2-acetamidoethyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 37658656
2-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 38416914

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).