4-tert-butyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1,3-thiazole

C16H28N2S — CID 79818155

IUPAC4-tert-butyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1,3-thiazole
SMILESCC(C)CC1(Cc2nc(C(C)(C)C)cs2)CCCN1
InChIInChI=1S/C16H28N2S/c1-12(2)9-16(7-6-8-17-16)10-14-18-13(11-19-14)15(3,4)5/h11-12,17H,6-10H2,1-5H3
InChIKeyGNRMASHFTGUPIG-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.15
Rot. Bonds4

About 4-tert-butyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1,3-thiazole

4-tert-butyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1,3-thiazole (PubChem CID 79818155) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 4-tert-butyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1,3-thiazole
PubChem CID79818155
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name4-tert-butyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1,3-thiazole
SMILESCC(C)CC1(Cc2nc(C(C)(C)C)cs2)CCCN1
InChIInChI=1S/C16H28N2S/c1-12(2)9-16(7-6-8-17-16)10-14-18-13(11-19-14)15(3,4)5/h11-12,17H,6-10H2,1-5H3
InChIKeyGNRMASHFTGUPIG-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-ol
CID 80562975
1-methyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole
CID 79761396
2,6-dimethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 104688318
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 79820634
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116539038
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 79820557
2-butyl-2-(2-methylpropyl)pyrrolidine
CID 66467900
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 79827472
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 79819712
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79820663
2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 82922545

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1,3-thiazole (CID 79818155) is 4-tert-butyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1,3-thiazole is CC(C)CC1(Cc2nc(C(C)(C)C)cs2)CCCN1.
What is the InChIKey of 4-tert-butyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1,3-thiazole?
The InChIKey is GNRMASHFTGUPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-12(2)9-16(7-6-8-17-16)10-14-18-13(11-19-14)15(3,4)5/h11-12,17H,6-10H2,1-5H3.
What are the key properties of 4-tert-butyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1,3-thiazole?
4-tert-butyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1,3-thiazole has a molecular weight of 280.48 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 79818155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).