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

C17H22N2OS — CID 63513237

IUPAC4-tert-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
SMILESCc1ccccc1CN(C)c1nc(C(C)(C)C)c(C=O)s1
InChIInChI=1S/C17H22N2OS/c1-12-8-6-7-9-13(12)10-19(5)16-18-15(17(2,3)4)14(11-20)21-16/h6-9,11H,10H2,1-5H3
InChIKeyOFNXWYVSDLIEAP-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.20
Rot. Bonds4

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

4-tert-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 63513237) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-tert-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-tert-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
PubChem CID63513237
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name4-tert-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
SMILESCc1ccccc1CN(C)c1nc(C(C)(C)C)c(C=O)s1
InChIInChI=1S/C17H22N2OS/c1-12-8-6-7-9-13(12)10-19(5)16-18-15(17(2,3)4)14(11-20)21-16/h6-9,11H,10H2,1-5H3
InChIKeyOFNXWYVSDLIEAP-UHFFFAOYSA-N
XLogP4.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]-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

Related Compounds

4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765421
4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765594
4-tert-butyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde
CID 63514433
2-[(2-chlorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 63514434
5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62750191
4-tert-butyl-2-[ethyl(propyl)amino]-1,3-thiazole-5-carbaldehyde
CID 55112984
4-tert-butyl-2-[ethyl(propan-2-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 62764737
5-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62767236
4-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
CID 62765736
6-[methyl-[(2-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780524
4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687787
N-methyl-5-(methylaminomethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62753444

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-tert-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde (CID 63513237) is 4-tert-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-tert-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-tert-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde is Cc1ccccc1CN(C)c1nc(C(C)(C)C)c(C=O)s1.
What is the InChIKey of 4-tert-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is OFNXWYVSDLIEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12-8-6-7-9-13(12)10-19(5)16-18-15(17(2,3)4)14(11-20)21-16/h6-9,11H,10H2,1-5H3.
What are the key properties of 4-tert-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
4-tert-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 302.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 63513237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).