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

C8H12N2S — CID 10103553

IUPAC3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole
SMILESCc1cc([C@@H]2CCCN2)sn1
InChIInChI=1S/C8H12N2S/c1-6-5-8(11-10-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3/t7-/m0/s1
InChIKeyNJWQJKIBSTUSBQ-ZETCQYMHSA-N
MW168.26 g/mol
LogP1.88
Rot. Bonds1

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

3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole (PubChem CID 10103553) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole.

Molecular Properties

Compound Name3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole
PubChem CID10103553
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole
SMILESCc1cc([C@@H]2CCCN2)sn1
InChIInChI=1S/C8H12N2S/c1-6-5-8(11-10-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3/t7-/m0/s1
InChIKeyNJWQJKIBSTUSBQ-ZETCQYMHSA-N
XLogP1.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole?
The IUPAC name of 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole (CID 10103553) is 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole.
What is the SMILES notation for 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole?
The canonical SMILES for 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole is Cc1cc([C@@H]2CCCN2)sn1.
What is the InChIKey of 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole?
The InChIKey is NJWQJKIBSTUSBQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12N2S/c1-6-5-8(11-10-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3/t7-/m0/s1.
What are the key properties of 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole?
3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole has a molecular weight of 168.26 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole is sourced from PubChem (CID 10103553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).