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

C16H21N3OS — CID 62765594

IUPAC4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCN(CCc1ccncc1)c1nc(C(C)(C)C)c(C=O)s1
InChIInChI=1S/C16H21N3OS/c1-16(2,3)14-13(11-20)21-15(18-14)19(4)10-7-12-5-8-17-9-6-12/h5-6,8-9,11H,7,10H2,1-4H3
InChIKeyMYXPCKWWVSNZDR-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.33
Rot. Bonds5

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

4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 62765594) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID62765594
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCN(CCc1ccncc1)c1nc(C(C)(C)C)c(C=O)s1
InChIInChI=1S/C16H21N3OS/c1-16(2,3)14-13(11-20)21-15(18-14)19(4)10-7-12-5-8-17-9-6-12/h5-6,8-9,11H,7,10H2,1-4H3
InChIKeyMYXPCKWWVSNZDR-UHFFFAOYSA-N
XLogP3.33
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.33
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-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62780337
4-tert-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
CID 63513237
4-tert-butyl-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carbaldehyde
CID 63514433
2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazole-2,5-diamine
CID 6917214
4-tert-butyl-2-[ethyl(propan-2-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 62764737
4-tert-butyl-2-[cyclopropyl(propyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765753
2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62753825
1-[2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]ethanone
CID 62751470
2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568996
[4-(methoxymethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol
CID 107510918
5-(ethylaminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine
CID 62752668
5-(1-aminoethyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine
CID 62751359

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carbaldehyde (CID 62765594) is 4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carbaldehyde is CN(CCc1ccncc1)c1nc(C(C)(C)C)c(C=O)s1.
What is the InChIKey of 4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is MYXPCKWWVSNZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-16(2,3)14-13(11-20)21-15(18-14)19(4)10-7-12-5-8-17-9-6-12/h5-6,8-9,11H,7,10H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carbaldehyde?
4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 303.43 g/mol, XLogP of 3.33, 5 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(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62765594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).