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

C12H21N3OS — CID 66053582

IUPAC5-[(dimethylamino)methyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
SMILESCc1ncc(CN2CC(O)CC2CN(C)C)s1
InChIInChI=1S/C12H21N3OS/c1-9-13-5-12(17-9)8-15-7-11(16)4-10(15)6-14(2)3/h5,10-11,16H,4,6-8H2,1-3H3
InChIKeyBIGJUEXQKBLRJH-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.95
Rot. Bonds4

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

5-[(dimethylamino)methyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol (PubChem CID 66053582) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
PubChem CID66053582
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name5-[(dimethylamino)methyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
SMILESCc1ncc(CN2CC(O)CC2CN(C)C)s1
InChIInChI=1S/C12H21N3OS/c1-9-13-5-12(17-9)8-15-7-11(16)4-10(15)6-14(2)3/h5,10-11,16H,4,6-8H2,1-3H3
InChIKeyBIGJUEXQKBLRJH-UHFFFAOYSA-N
XLogP0.95
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-bromo-2-pyridinyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 104808936
(3S,5S)-5-(hydroxymethyl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
CID 167808695
1-[(3-amino-5-fluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 112646208
5-[(dimethylamino)methyl]-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 80614598
5-[(dimethylamino)methyl]-1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-ol
CID 107052565
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66052628
5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol
CID 66051669
5-[(dimethylamino)methyl]-1-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol
CID 66057230
5-[(dimethylamino)methyl]-1-[(2-hydrazinyl-4-pyridinyl)methyl]pyrrolidin-3-ol
CID 66052532
5-[(dimethylamino)methyl]-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 66051676
2-[4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 105346086
1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 82930921

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol (CID 66053582) is 5-[(dimethylamino)methyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol is Cc1ncc(CN2CC(O)CC2CN(C)C)s1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol?
The InChIKey is BIGJUEXQKBLRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9-13-5-12(17-9)8-15-7-11(16)4-10(15)6-14(2)3/h5,10-11,16H,4,6-8H2,1-3H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol has a molecular weight of 255.39 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66053582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).