4-cyclopropyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde

C13H18N2O2S — CID 82753674

IUPAC4-cyclopropyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCC1OCCC1N(C)c1nc(C2CC2)c(C=O)s1
InChIInChI=1S/C13H18N2O2S/c1-8-10(5-6-17-8)15(2)13-14-12(9-3-4-9)11(7-16)18-13/h7-10H,3-6H2,1-2H3
InChIKeyWGOFVUNGCPHRSL-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.45
Rot. Bonds4

About 4-cyclopropyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde

4-cyclopropyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 82753674) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-cyclopropyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID82753674
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name4-cyclopropyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCC1OCCC1N(C)c1nc(C2CC2)c(C=O)s1
InChIInChI=1S/C13H18N2O2S/c1-8-10(5-6-17-8)15(2)13-14-12(9-3-4-9)11(7-16)18-13/h7-10H,3-6H2,1-2H3
InChIKeyWGOFVUNGCPHRSL-UHFFFAOYSA-N
XLogP2.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.45
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

4-cyclopropyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 63916614
2-[bis(2-methylpropyl)amino]-4-cyclopropyl-1,3-thiazole-5-carbaldehyde
CID 63918534
4-cyclopropyl-2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 79858130
4-cyclopropyl-2-[ethyl(2-methylbutyl)amino]-1,3-thiazole-5-carbaldehyde
CID 79482453
1-[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-5-yl]ethanol
CID 82754565
4-cyclopropyl-2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 63915620
methyl 4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 82747995
methyl 5-acetyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 106697961
2-[methyl-(2-methyloxolan-3-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 82754742
4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine
CID 83157100
4-ethyl-N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 82754026
4-cyclopropyl-2-[(4-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carbaldehyde
CID 63916415

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-cyclopropyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde (CID 82753674) is 4-cyclopropyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-cyclopropyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-cyclopropyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde is CC1OCCC1N(C)c1nc(C2CC2)c(C=O)s1.
What is the InChIKey of 4-cyclopropyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is WGOFVUNGCPHRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-8-10(5-6-17-8)15(2)13-14-12(9-3-4-9)11(7-16)18-13/h7-10H,3-6H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde?
4-cyclopropyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 266.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 82753674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).