2-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole

C13H16N2S2 — CID 99928325

IUPAC2-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
SMILESCc1ccc(CN2CCC[C@H]2c2nccs2)s1
InChIInChI=1S/C13H16N2S2/c1-10-4-5-11(17-10)9-15-7-2-3-12(15)13-14-6-8-16-13/h4-6,8,12H,2-3,7,9H2,1H3/t12-/m0/s1
InChIKeyDCTOGIGQBGHDJE-LBPRGKRZSA-N
MW264.42 g/mol
LogP3.85
Rot. Bonds3

About 2-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole

2-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole (PubChem CID 99928325) has the molecular formula C13H16N2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
PubChem CID99928325
Molecular FormulaC13H16N2S2
Molecular Weight264.42 g/mol
Exact Mass264.08
IUPAC Name2-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
SMILESCc1ccc(CN2CCC[C@H]2c2nccs2)s1
InChIInChI=1S/C13H16N2S2/c1-10-4-5-11(17-10)9-15-7-2-3-12(15)13-14-6-8-16-13/h4-6,8,12H,2-3,7,9H2,1H3/t12-/m0/s1
InChIKeyDCTOGIGQBGHDJE-LBPRGKRZSA-N
XLogP3.85
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole (CID 99928325) is 2-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole is Cc1ccc(CN2CCC[C@H]2c2nccs2)s1.
What is the InChIKey of 2-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is DCTOGIGQBGHDJE-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16N2S2/c1-10-4-5-11(17-10)9-15-7-2-3-12(15)13-14-6-8-16-13/h4-6,8,12H,2-3,7,9H2,1H3/t12-/m0/s1.
What are the key properties of 2-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole?
2-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 264.42 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 99928325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).