2-[cyclopropyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde

C11H16N2O2S — CID 107508965

IUPAC2-[cyclopropyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
SMILESCCN(c1nc(COC)c(C=O)s1)C1CC1
InChIInChI=1S/C11H16N2O2S/c1-3-13(8-4-5-8)11-12-9(7-15-2)10(6-14)16-11/h6,8H,3-5,7H2,1-2H3
InChIKeyCCCPXENYEHRMNO-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.09
Rot. Bonds6

About 2-[cyclopropyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde

2-[cyclopropyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 107508965) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-[cyclopropyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[cyclopropyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
PubChem CID107508965
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-[cyclopropyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
SMILESCCN(c1nc(COC)c(C=O)s1)C1CC1
InChIInChI=1S/C11H16N2O2S/c1-3-13(8-4-5-8)11-12-9(7-15-2)10(6-14)16-11/h6,8H,3-5,7H2,1-2H3
InChIKeyCCCPXENYEHRMNO-UHFFFAOYSA-N
XLogP2.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[butyl(cyclopropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509013
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509030
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508930
2-[cycloheptyl(methyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508985
[2-[cyclohexyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107510864
4-(methoxymethyl)-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 107509121
2-(4-ethyl-N-methylanilino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509033
4-tert-butyl-2-[cyclohexyl(ethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 63512549
4-(methoxymethyl)-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 107508982
2-(N-ethyl-2-methylanilino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508942
N-butyl-N-cyclopropyl-4-(methoxymethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510022
2-[4-(dimethylamino)piperidin-1-yl]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508976

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[cyclopropyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde (CID 107508965) is 2-[cyclopropyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[cyclopropyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[cyclopropyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde is CCN(c1nc(COC)c(C=O)s1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is CCCPXENYEHRMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-13(8-4-5-8)11-12-9(7-15-2)10(6-14)16-11/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 2-[cyclopropyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
2-[cyclopropyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 240.33 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 107508965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).