[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methanol

C15H25N3OS — CID 79937237

IUPAC[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methanol
SMILESCC(C)(C)c1nc(N2CCN3CCCC3C2)sc1CO
InChIInChI=1S/C15H25N3OS/c1-15(2,3)13-12(10-19)20-14(16-13)18-8-7-17-6-4-5-11(17)9-18/h11,19H,4-10H2,1-3H3
InChIKeyNXPZHLUPLRYOTM-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.22
Rot. Bonds2

About [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methanol

[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methanol (PubChem CID 79937237) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methanol
PubChem CID79937237
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methanol
SMILESCC(C)(C)c1nc(N2CCN3CCCC3C2)sc1CO
InChIInChI=1S/C15H25N3OS/c1-15(2,3)13-12(10-19)20-14(16-13)18-8-7-17-6-4-5-11(17)9-18/h11,19H,4-10H2,1-3H3
InChIKeyNXPZHLUPLRYOTM-UHFFFAOYSA-N
XLogP2.22
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methanol 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

[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511101
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 79920135
[4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62778341
[4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62778656
[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62779308
[4-tert-butyl-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol
CID 63520638
[4-tert-butyl-2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 63619362
[4-tert-butyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62767415
[4-tert-butyl-2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62932044
[4-tert-butyl-2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanol
CID 65286588
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 79924759
4-tert-butyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 63513748

Frequently Asked Questions

What is the IUPAC name of [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methanol (CID 79937237) is [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methanol is CC(C)(C)c1nc(N2CCN3CCCC3C2)sc1CO.
What is the InChIKey of [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methanol?
The InChIKey is NXPZHLUPLRYOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-15(2,3)13-12(10-19)20-14(16-13)18-8-7-17-6-4-5-11(17)9-18/h11,19H,4-10H2,1-3H3.
What are the key properties of [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methanol?
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methanol has a molecular weight of 295.45 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79937237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).