2-chloro-5-[[(3S)-pyrrolidin-3-yl]methoxymethyl]-1,3-thiazole

C9H13ClN2OS — CID 97163860

IUPAC2-chloro-5-[[(3S)-pyrrolidin-3-yl]methoxymethyl]-1,3-thiazole
SMILESClc1ncc(COC[C@H]2CCNC2)s1
InChIInChI=1S/C9H13ClN2OS/c10-9-12-4-8(14-9)6-13-5-7-1-2-11-3-7/h4,7,11H,1-3,5-6H2/t7-/m0/s1
InChIKeyRYOYIKAUUQUDFV-ZETCQYMHSA-N
MW232.74 g/mol
LogP1.92
Rot. Bonds4

About 2-chloro-5-[[(3S)-pyrrolidin-3-yl]methoxymethyl]-1,3-thiazole

2-chloro-5-[[(3S)-pyrrolidin-3-yl]methoxymethyl]-1,3-thiazole (PubChem CID 97163860) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 2-chloro-5-[[(3S)-pyrrolidin-3-yl]methoxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[[(3S)-pyrrolidin-3-yl]methoxymethyl]-1,3-thiazole
PubChem CID97163860
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name2-chloro-5-[[(3S)-pyrrolidin-3-yl]methoxymethyl]-1,3-thiazole
SMILESClc1ncc(COC[C@H]2CCNC2)s1
InChIInChI=1S/C9H13ClN2OS/c10-9-12-4-8(14-9)6-13-5-7-1-2-11-3-7/h4,7,11H,1-3,5-6H2/t7-/m0/s1
InChIKeyRYOYIKAUUQUDFV-ZETCQYMHSA-N
XLogP1.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(cyclopentylmethoxymethyl)-1,3-thiazole
CID 79763985
2-chloro-5-(pyrrolidin-3-ylmethylsulfanylmethyl)-1,3-thiazole
CID 71640483
2,4-dichloro-5-(pyrrolidin-3-ylmethoxymethyl)pyrimidine;hydrochloride
CID 71640400
2-(pyrrolidin-3-ylmethoxymethyl)pyrimidine
CID 62698828
2-chloro-5-(oxolan-2-ylmethoxymethyl)-1,3-thiazole
CID 79764859
3-[(4-iodophenyl)methoxymethyl]pyrrolidine
CID 56830526
3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
CID 56829907
(3S)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 71640351
5-(piperidin-4-ylmethoxymethyl)-1,3-thiazole;hydrochloride
CID 71637010
(3R)-3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
CID 86320752
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
4-[(5-ethylthiophen-2-yl)methoxymethyl]piperidine
CID 62340071

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(3S)-pyrrolidin-3-yl]methoxymethyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[[(3S)-pyrrolidin-3-yl]methoxymethyl]-1,3-thiazole (CID 97163860) is 2-chloro-5-[[(3S)-pyrrolidin-3-yl]methoxymethyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[[(3S)-pyrrolidin-3-yl]methoxymethyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[[(3S)-pyrrolidin-3-yl]methoxymethyl]-1,3-thiazole is Clc1ncc(COC[C@H]2CCNC2)s1.
What is the InChIKey of 2-chloro-5-[[(3S)-pyrrolidin-3-yl]methoxymethyl]-1,3-thiazole?
The InChIKey is RYOYIKAUUQUDFV-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c10-9-12-4-8(14-9)6-13-5-7-1-2-11-3-7/h4,7,11H,1-3,5-6H2/t7-/m0/s1.
What are the key properties of 2-chloro-5-[[(3S)-pyrrolidin-3-yl]methoxymethyl]-1,3-thiazole?
2-chloro-5-[[(3S)-pyrrolidin-3-yl]methoxymethyl]-1,3-thiazole has a molecular weight of 232.74 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(3S)-pyrrolidin-3-yl]methoxymethyl]-1,3-thiazole is sourced from PubChem (CID 97163860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).