4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole

C14H25N3OS — CID 21392457

IUPAC4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole
SMILESCOCCN1CCN(c2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C14H25N3OS/c1-14(2,3)12-11-19-13(15-12)17-7-5-16(6-8-17)9-10-18-4/h11H,5-10H2,1-4H3
InChIKeyCDYJDHLNBSPAID-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.21
Rot. Bonds4

About 4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole

4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole (PubChem CID 21392457) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole
PubChem CID21392457
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole
SMILESCOCCN1CCN(c2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C14H25N3OS/c1-14(2,3)12-11-19-13(15-12)17-7-5-16(6-8-17)9-10-18-4/h11H,5-10H2,1-4H3
InChIKeyCDYJDHLNBSPAID-UHFFFAOYSA-N
XLogP2.21
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole 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-(4-Methyl-1,3-thiazol-2-yl)morpholine
CID 2324399
4-(4-Tert-butyl-1,3-thiazol-2-yl)morpholine
CID 1490753
Tebatizole
CID 3085056
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide
CID 110444179
4-(4-Ethyl-1,3-thiazol-2-yl)morpholine
CID 115645122
8-(4-Ethyl-1,3-thiazol-2-yl)-5-oxa-8-azaspiro[2.6]nonane
CID 127805863
4-Tert-butyl-2-[3-(trifluoromethoxy)pyrrolidin-1-yl]-1,3-thiazole
CID 170651612
4-Methyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-1,3-thiazole
CID 53529978
4-Methyl-2-[2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-1,3-thiazole
CID 53620641
4-methyl-2-[(2S)-2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-1,3-thiazole
CID 95345942
4-methyl-2-[(2R)-2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-1,3-thiazole
CID 98761299
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133539077

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole (CID 21392457) is 4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole is COCCN1CCN(c2nc(C(C)(C)C)cs2)CC1.
What is the InChIKey of 4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is CDYJDHLNBSPAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-14(2,3)12-11-19-13(15-12)17-7-5-16(6-8-17)9-10-18-4/h11H,5-10H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole?
4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 283.44 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 21392457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).