2-[cyclopropylmethyl(propyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde

C17H20N2OS — CID 63513575

IUPAC2-[cyclopropylmethyl(propyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde
SMILESCCCN(CC1CC1)c1nc(-c2ccccc2)c(C=O)s1
InChIInChI=1S/C17H20N2OS/c1-2-10-19(11-13-8-9-13)17-18-16(15(12-20)21-17)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3
InChIKeyJYVXGAWABFFOHF-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.25
Rot. Bonds7

About 2-[cyclopropylmethyl(propyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde

2-[cyclopropylmethyl(propyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde (PubChem CID 63513575) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde
PubChem CID63513575
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-[cyclopropylmethyl(propyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde
SMILESCCCN(CC1CC1)c1nc(-c2ccccc2)c(C=O)s1
InChIInChI=1S/C17H20N2OS/c1-2-10-19(11-13-8-9-13)17-18-16(15(12-20)21-17)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3
InChIKeyJYVXGAWABFFOHF-UHFFFAOYSA-N
XLogP4.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[cyclopropylmethyl(propyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde (CID 63513575) is 2-[cyclopropylmethyl(propyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[cyclopropylmethyl(propyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[cyclopropylmethyl(propyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde is CCCN(CC1CC1)c1nc(-c2ccccc2)c(C=O)s1.
What is the InChIKey of 2-[cyclopropylmethyl(propyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is JYVXGAWABFFOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-2-10-19(11-13-8-9-13)17-18-16(15(12-20)21-17)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3.
What are the key properties of 2-[cyclopropylmethyl(propyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde?
2-[cyclopropylmethyl(propyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 300.43 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 63513575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).