(3R,5S)-5-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol

C9H14N2OS — CID 171774639

IUPAC(3R,5S)-5-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
SMILESC[C@H]1C[C@@H](O)CN1Cc1cncs1
InChIInChI=1S/C9H14N2OS/c1-7-2-8(12)4-11(7)5-9-3-10-6-13-9/h3,6-8,12H,2,4-5H2,1H3/t7-,8+/m0/s1
InChIKeyXEMFIXHNDIFMTP-JGVFFNPUSA-N
MW198.29 g/mol
LogP1.10
Rot. Bonds2

About (3R,5S)-5-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol

(3R,5S)-5-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol (PubChem CID 171774639) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is (3R,5S)-5-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
PubChem CID171774639
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name(3R,5S)-5-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
SMILESC[C@H]1C[C@@H](O)CN1Cc1cncs1
InChIInChI=1S/C9H14N2OS/c1-7-2-8(12)4-11(7)5-9-3-10-6-13-9/h3,6-8,12H,2,4-5H2,1H3/t7-,8+/m0/s1
InChIKeyXEMFIXHNDIFMTP-JGVFFNPUSA-N
XLogP1.10
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120906200
2-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol
CID 131019864
3-methyl-4-(1,3-thiazol-5-ylmethyl)thiomorpholine
CID 130719595
[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol
CID 102788244
1-[(5-bromothiophen-2-yl)methyl]-5-methylpyrrolidin-3-ol
CID 130993389
5-[(5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644827
tert-butyl 3-methyl-4-(1,3-thiazol-5-ylmethyl)piperazine-1-carboxylate
CID 71635021
1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
CID 141277856
[6-methyl-4-(1,3-thiazol-5-ylmethyl)morpholin-2-yl]methanol
CID 102935669
1-(1,3-thiazol-5-ylmethyl)azepan-4-ol
CID 126987254
1-[(6-chloropyridazin-3-yl)methyl]-5-methylpyrrolidin-3-ol
CID 130965134
5-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-1,3-thiazole
CID 68865181

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol (CID 171774639) is (3R,5S)-5-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol is C[C@H]1C[C@@H](O)CN1Cc1cncs1.
What is the InChIKey of (3R,5S)-5-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol?
The InChIKey is XEMFIXHNDIFMTP-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7-2-8(12)4-11(7)5-9-3-10-6-13-9/h3,6-8,12H,2,4-5H2,1H3/t7-,8+/m0/s1.
What are the key properties of (3R,5S)-5-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol?
(3R,5S)-5-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol has a molecular weight of 198.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 171774639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).