2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole

C9H14N2OS — CID 95430246

IUPAC2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
SMILESCOCc1nc([C@@H]2CCCN2)cs1
InChIInChI=1S/C9H14N2OS/c1-12-5-9-11-8(6-13-9)7-3-2-4-10-7/h6-7,10H,2-5H2,1H3/t7-/m0/s1
InChIKeyDIOKXRTVHAMHFH-ZETCQYMHSA-N
MW198.29 g/mol
LogP1.71
Rot. Bonds3

About 2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole

2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole (PubChem CID 95430246) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
PubChem CID95430246
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
SMILESCOCc1nc([C@@H]2CCCN2)cs1
InChIInChI=1S/C9H14N2OS/c1-12-5-9-11-8(6-13-9)7-3-2-4-10-7/h6-7,10H,2-5H2,1H3/t7-/m0/s1
InChIKeyDIOKXRTVHAMHFH-ZETCQYMHSA-N
XLogP1.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853395
2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853422
[4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol
CID 104853412
2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853446
2-(cyclopropylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853410
2-(methoxymethyl)-4-piperidin-4-yl-1,3-thiazole
CID 82276880
4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 104853425
2-(propylsulfanylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853401
2-ethoxy-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853409
4-[(2S)-pyrrolidin-2-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole
CID 104928834
4-pyrrolidin-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazole
CID 114456941
2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456781

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole (CID 95430246) is 2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole is COCc1nc([C@@H]2CCCN2)cs1.
What is the InChIKey of 2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is DIOKXRTVHAMHFH-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-12-5-9-11-8(6-13-9)7-3-2-4-10-7/h6-7,10H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of 2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 198.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 95430246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).