4-tert-butyl-2-[cyclopropyl(propyl)amino]-1,3-thiazole-5-carbaldehyde

C14H22N2OS — CID 62765753

IUPAC4-tert-butyl-2-[cyclopropyl(propyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCCCN(c1nc(C(C)(C)C)c(C=O)s1)C1CC1
InChIInChI=1S/C14H22N2OS/c1-5-8-16(10-6-7-10)13-15-12(14(2,3)4)11(9-17)18-13/h9-10H,5-8H2,1-4H3
InChIKeyYGKAODDGDGYYJB-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.63
Rot. Bonds5

About 4-tert-butyl-2-[cyclopropyl(propyl)amino]-1,3-thiazole-5-carbaldehyde

4-tert-butyl-2-[cyclopropyl(propyl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 62765753) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-tert-butyl-2-[cyclopropyl(propyl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-tert-butyl-2-[cyclopropyl(propyl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID62765753
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-tert-butyl-2-[cyclopropyl(propyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCCCN(c1nc(C(C)(C)C)c(C=O)s1)C1CC1
InChIInChI=1S/C14H22N2OS/c1-5-8-16(10-6-7-10)13-15-12(14(2,3)4)11(9-17)18-13/h9-10H,5-8H2,1-4H3
InChIKeyYGKAODDGDGYYJB-UHFFFAOYSA-N
XLogP3.63
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[cyclopropyl(propyl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-tert-butyl-2-[cyclopropyl(propyl)amino]-1,3-thiazole-5-carbaldehyde (CID 62765753) is 4-tert-butyl-2-[cyclopropyl(propyl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-tert-butyl-2-[cyclopropyl(propyl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-tert-butyl-2-[cyclopropyl(propyl)amino]-1,3-thiazole-5-carbaldehyde is CCCN(c1nc(C(C)(C)C)c(C=O)s1)C1CC1.
What is the InChIKey of 4-tert-butyl-2-[cyclopropyl(propyl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is YGKAODDGDGYYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-5-8-16(10-6-7-10)13-15-12(14(2,3)4)11(9-17)18-13/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[cyclopropyl(propyl)amino]-1,3-thiazole-5-carbaldehyde?
4-tert-butyl-2-[cyclopropyl(propyl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 266.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[cyclopropyl(propyl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62765753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).