4-tert-butyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carbaldehyde

C14H22N2O2S — CID 62764565

IUPAC4-tert-butyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCN(c1nc(C(C)(C)C)c(C=O)s1)C1CCOCC1
InChIInChI=1S/C14H22N2O2S/c1-14(2,3)12-11(9-17)19-13(15-12)16(4)10-5-7-18-8-6-10/h9-10H,5-8H2,1-4H3
InChIKeyMOKHFHMTNDKHTP-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.87
Rot. Bonds3

About 4-tert-butyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carbaldehyde

4-tert-butyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 62764565) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-tert-butyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-tert-butyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID62764565
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-tert-butyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCN(c1nc(C(C)(C)C)c(C=O)s1)C1CCOCC1
InChIInChI=1S/C14H22N2O2S/c1-14(2,3)12-11(9-17)19-13(15-12)16(4)10-5-7-18-8-6-10/h9-10H,5-8H2,1-4H3
InChIKeyMOKHFHMTNDKHTP-UHFFFAOYSA-N
XLogP2.87
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.87
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-tert-butyl-2-[cyclopropyl(propyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765753
4-tert-butyl-2-[cyclohexyl(ethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 63512549
2-[butan-2-yl(methyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde
CID 62765416
4-tert-butyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde
CID 63514433
4-tert-butyl-2-[ethyl(propan-2-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 62764737
[4-tert-butyl-2-[cyclopentyl(methyl)amino]-1,3-thiazol-5-yl]methanol
CID 55117666
4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765421
4-tert-butyl-2-[cycloheptyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
CID 63514616
2-[cycloheptyl(methyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508985
4-methyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 62764084
4-cyclopropyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 63916614
4-tert-butyl-2-[ethyl(propyl)amino]-1,3-thiazole-5-carbaldehyde
CID 55112984

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-tert-butyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carbaldehyde (CID 62764565) is 4-tert-butyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-tert-butyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-tert-butyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carbaldehyde is CN(c1nc(C(C)(C)C)c(C=O)s1)C1CCOCC1.
What is the InChIKey of 4-tert-butyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is MOKHFHMTNDKHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-14(2,3)12-11(9-17)19-13(15-12)16(4)10-5-7-18-8-6-10/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carbaldehyde?
4-tert-butyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 282.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62764565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).