1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C15H27N3OS — CID 66052628

IUPAC1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1Cc1csc(C(C)(C)C)n1
InChIInChI=1S/C15H27N3OS/c1-15(2,3)14-16-11(10-20-14)7-18-9-13(19)6-12(18)8-17(4)5/h10,12-13,19H,6-9H2,1-5H3
InChIKeyOLWCZMRHIYWJCV-UHFFFAOYSA-N
MW297.47 g/mol
LogP1.94
Rot. Bonds4

About 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66052628) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66052628
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1Cc1csc(C(C)(C)C)n1
InChIInChI=1S/C15H27N3OS/c1-15(2,3)14-16-11(10-20-14)7-18-9-13(19)6-12(18)8-17(4)5/h10,12-13,19H,6-9H2,1-5H3
InChIKeyOLWCZMRHIYWJCV-UHFFFAOYSA-N
XLogP1.94
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66055051
1-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66054265
[(2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62040964
5-[(dimethylamino)methyl]-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 66051676
5-[(dimethylamino)methyl]-1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-ol
CID 107052565
5-[(dimethylamino)methyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
CID 66053582
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66051281
1-(1-benzothiophen-3-ylmethyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053015
2-[4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 105346086
2-[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 115462954
5-[(dimethylamino)methyl]-1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidin-3-ol
CID 80657467
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79369310

Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66052628) is 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1Cc1csc(C(C)(C)C)n1.
What is the InChIKey of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is OLWCZMRHIYWJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-15(2,3)14-16-11(10-20-14)7-18-9-13(19)6-12(18)8-17(4)5/h10,12-13,19H,6-9H2,1-5H3.
What are the key properties of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 297.47 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66052628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).