4-methyl-2-pyrrolidin-2-yl-1,3-thiazole

C8H12N2S — CID 22256522

IUPAC4-methyl-2-pyrrolidin-2-yl-1,3-thiazole
SMILESCc1csc(C2CCCN2)n1
InChIInChI=1S/C8H12N2S/c1-6-5-11-8(10-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3
InChIKeyJRYSNDSTDPDJKN-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.88
Rot. Bonds1

About 4-methyl-2-pyrrolidin-2-yl-1,3-thiazole

4-methyl-2-pyrrolidin-2-yl-1,3-thiazole (PubChem CID 22256522) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 4-methyl-2-pyrrolidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-pyrrolidin-2-yl-1,3-thiazole
PubChem CID22256522
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name4-methyl-2-pyrrolidin-2-yl-1,3-thiazole
SMILESCc1csc(C2CCCN2)n1
InChIInChI=1S/C8H12N2S/c1-6-5-11-8(10-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3
InChIKeyJRYSNDSTDPDJKN-UHFFFAOYSA-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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Related Compounds

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[(2-Ethyl-1,3-thiazol-4-yl)methyl](methyl)amine
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Methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amine
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1-(4-Methyl-1,3-thiazol-2-yl)ethan-1-amine
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4-Methyl-2-(pyrrolidin-3-yl)-1,3-thiazole
CID 12150004
3-(4-Methyl-1,3-thiazol-2-yl)propan-1-amine
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4-(4-Methyl-1,3-thiazol-2-yl)piperidine
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3-(4-Methyl-1,3-thiazol-2-yl)piperidine
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrrolidin-2-yl-1,3-thiazole?
The IUPAC name of 4-methyl-2-pyrrolidin-2-yl-1,3-thiazole (CID 22256522) is 4-methyl-2-pyrrolidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-pyrrolidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-pyrrolidin-2-yl-1,3-thiazole is Cc1csc(C2CCCN2)n1.
What is the InChIKey of 4-methyl-2-pyrrolidin-2-yl-1,3-thiazole?
The InChIKey is JRYSNDSTDPDJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-6-5-11-8(10-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3.
What are the key properties of 4-methyl-2-pyrrolidin-2-yl-1,3-thiazole?
4-methyl-2-pyrrolidin-2-yl-1,3-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 4-methyl-2-pyrrolidin-2-yl-1,3-thiazole is sourced from PubChem (CID 22256522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).