5-[[(3S)-pyrrolidin-3-yl]oxymethyl]-1,3-thiazole

C8H12N2OS — CID 71636911

IUPAC5-[[(3S)-pyrrolidin-3-yl]oxymethyl]-1,3-thiazole
SMILESc1ncc(CO[C@H]2CCNC2)s1
InChIInChI=1S/C8H12N2OS/c1-2-9-3-7(1)11-5-8-4-10-6-12-8/h4,6-7,9H,1-3,5H2/t7-/m0/s1
InChIKeyILCZWHMQUVKOCA-ZETCQYMHSA-N
MW184.26 g/mol
LogP1.02
Rot. Bonds3

About 5-[[(3S)-pyrrolidin-3-yl]oxymethyl]-1,3-thiazole

5-[[(3S)-pyrrolidin-3-yl]oxymethyl]-1,3-thiazole (PubChem CID 71636911) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-[[(3S)-pyrrolidin-3-yl]oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[(3S)-pyrrolidin-3-yl]oxymethyl]-1,3-thiazole
PubChem CID71636911
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name5-[[(3S)-pyrrolidin-3-yl]oxymethyl]-1,3-thiazole
SMILESc1ncc(CO[C@H]2CCNC2)s1
InChIInChI=1S/C8H12N2OS/c1-2-9-3-7(1)11-5-8-4-10-6-12-8/h4,6-7,9H,1-3,5H2/t7-/m0/s1
InChIKeyILCZWHMQUVKOCA-ZETCQYMHSA-N
XLogP1.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(6-methylpiperidin-3-yl)oxymethyl]-1,3-thiazole
CID 130943391
5-(piperidin-4-ylmethoxymethyl)-1,3-thiazole;hydrochloride
CID 71637010
5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole
CID 71637100
4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine
CID 71636909
2-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride
CID 71636912
5-(piperidin-3-ylmethyl)-1,3-thiazole
CID 112644485
1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone
CID 116568336
3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyridine;dihydrochloride
CID 66987447
3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride
CID 53409439
5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole
CID 97166187
1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one
CID 116583454
5-(pyrrolidin-3-ylmethylsulfonylmethyl)-1,3-thiazole
CID 71645788

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-pyrrolidin-3-yl]oxymethyl]-1,3-thiazole?
The IUPAC name of 5-[[(3S)-pyrrolidin-3-yl]oxymethyl]-1,3-thiazole (CID 71636911) is 5-[[(3S)-pyrrolidin-3-yl]oxymethyl]-1,3-thiazole.
What is the SMILES notation for 5-[[(3S)-pyrrolidin-3-yl]oxymethyl]-1,3-thiazole?
The canonical SMILES for 5-[[(3S)-pyrrolidin-3-yl]oxymethyl]-1,3-thiazole is c1ncc(CO[C@H]2CCNC2)s1.
What is the InChIKey of 5-[[(3S)-pyrrolidin-3-yl]oxymethyl]-1,3-thiazole?
The InChIKey is ILCZWHMQUVKOCA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-9-3-7(1)11-5-8-4-10-6-12-8/h4,6-7,9H,1-3,5H2/t7-/m0/s1.
What are the key properties of 5-[[(3S)-pyrrolidin-3-yl]oxymethyl]-1,3-thiazole?
5-[[(3S)-pyrrolidin-3-yl]oxymethyl]-1,3-thiazole has a molecular weight of 184.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-pyrrolidin-3-yl]oxymethyl]-1,3-thiazole is sourced from PubChem (CID 71636911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).