2-methyl-4-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

C14H18N2OS — CID 125130491

IUPAC2-methyl-4-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1ccc([C@H]2CCCN2Cc2csc(C)n2)o1
InChIInChI=1S/C14H18N2OS/c1-10-5-6-14(17-10)13-4-3-7-16(13)8-12-9-18-11(2)15-12/h5-6,9,13H,3-4,7-8H2,1-2H3/t13-/m1/s1
InChIKeySSBKIMCVIXWVFG-CYBMUJFWSA-N
MW262.38 g/mol
LogP3.69
Rot. Bonds3

About 2-methyl-4-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

2-methyl-4-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 125130491) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-methyl-4-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID125130491
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-methyl-4-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1ccc([C@H]2CCCN2Cc2csc(C)n2)o1
InChIInChI=1S/C14H18N2OS/c1-10-5-6-14(17-10)13-4-3-7-16(13)8-12-9-18-11(2)15-12/h5-6,9,13H,3-4,7-8H2,1-2H3/t13-/m1/s1
InChIKeySSBKIMCVIXWVFG-CYBMUJFWSA-N
XLogP3.69
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124755806
2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 110118311
N,N-dimethyl-6-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 124976389
1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441678
N-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124946273
5,6-dimethyl-2-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 125136023
N-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124958167
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 79545015
3-(2,2-difluoroethyl)-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950171
1,3-dimethyl-8-[[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-7H-purine-2,6-dione
CID 122137214
(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 155990745
(1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 100859490

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 125130491) is 2-methyl-4-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is Cc1ccc([C@H]2CCCN2Cc2csc(C)n2)o1.
What is the InChIKey of 2-methyl-4-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is SSBKIMCVIXWVFG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-5-6-14(17-10)13-4-3-7-16(13)8-12-9-18-11(2)15-12/h5-6,9,13H,3-4,7-8H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-methyl-4-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
2-methyl-4-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 262.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 125130491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).