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

C8H13ClN2S — CID 22853249

IUPAC3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole;hydrochloride
SMILESCc1cc([C@@H]2CCCN2)sn1.Cl
InChIInChI=1S/C8H12N2S.ClH/c1-6-5-8(11-10-6)7-3-2-4-9-7;/h5,7,9H,2-4H2,1H3;1H/t7-;/m0./s1
InChIKeyFLRDXAKMRKTRIU-FJXQXJEOSA-N
MW204.73 g/mol
LogP2.30
Rot. Bonds1

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

3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole;hydrochloride (PubChem CID 22853249) has the molecular formula C8H13ClN2S and a molecular weight of 204.73 g/mol. Its IUPAC name is 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole;hydrochloride.

Molecular Properties

Compound Name3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole;hydrochloride
PubChem CID22853249
Molecular FormulaC8H13ClN2S
Molecular Weight204.73 g/mol
Exact Mass204.05
IUPAC Name3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole;hydrochloride
SMILESCc1cc([C@@H]2CCCN2)sn1.Cl
InChIInChI=1S/C8H12N2S.ClH/c1-6-5-8(11-10-6)7-3-2-4-9-7;/h5,7,9H,2-4H2,1H3;1H/t7-;/m0./s1
InChIKeyFLRDXAKMRKTRIU-FJXQXJEOSA-N
XLogP2.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.73
LogP ≤ 52.30
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;hydrochloride?
The IUPAC name of 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole;hydrochloride (CID 22853249) is 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole;hydrochloride.
What is the SMILES notation for 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole;hydrochloride?
The canonical SMILES for 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole;hydrochloride is Cc1cc([C@@H]2CCCN2)sn1.Cl.
What is the InChIKey of 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole;hydrochloride?
The InChIKey is FLRDXAKMRKTRIU-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H12N2S.ClH/c1-6-5-8(11-10-6)7-3-2-4-9-7;/h5,7,9H,2-4H2,1H3;1H/t7-;/m0./s1.
What are the key properties of 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole;hydrochloride?
3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole;hydrochloride has a molecular weight of 204.73 g/mol, XLogP of 2.30, 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;hydrochloride is sourced from PubChem (CID 22853249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).