4-methyl-5-pyrrolidin-3-yl-1,3-thiazole

C8H12N2S — CID 82413076

IUPAC4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
SMILESCc1ncsc1C1CCNC1
InChIInChI=1S/C8H12N2S/c1-6-8(11-5-10-6)7-2-3-9-4-7/h5,7,9H,2-4H2,1H3
InChIKeyMUMGXTDTPHSFDQ-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.53
Rot. Bonds1

About 4-methyl-5-pyrrolidin-3-yl-1,3-thiazole

4-methyl-5-pyrrolidin-3-yl-1,3-thiazole (PubChem CID 82413076) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 4-methyl-5-pyrrolidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
PubChem CID82413076
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
SMILESCc1ncsc1C1CCNC1
InChIInChI=1S/C8H12N2S/c1-6-8(11-5-10-6)7-2-3-9-4-7/h5,7,9H,2-4H2,1H3
InChIKeyMUMGXTDTPHSFDQ-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-(3-methylpiperidin-4-yl)-1,3-thiazole
CID 164650982
4-methyl-5-piperidin-2-yl-1,3-thiazole
CID 56607472
4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole
CID 176552899
2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885085
4-methyl-5-(4-methylpiperidin-2-yl)-1,3-thiazole
CID 164650987
4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole
CID 93492448
3-(3-bromo-5-methylthiophen-2-yl)pyrrolidine
CID 84803146
(3R)-3-(3-methylthiophen-2-yl)piperidine
CID 93478534
4-methyl-5-pyrrolidin-3-yl-2-(1H-pyrrol-2-yl)-1,3-thiazole
CID 136988563
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 95364029
2-(2-fluorophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885078
3-(3-chlorothiophen-2-yl)pyrrolidine
CID 82655748

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-pyrrolidin-3-yl-1,3-thiazole?
The IUPAC name of 4-methyl-5-pyrrolidin-3-yl-1,3-thiazole (CID 82413076) is 4-methyl-5-pyrrolidin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-pyrrolidin-3-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-5-pyrrolidin-3-yl-1,3-thiazole is Cc1ncsc1C1CCNC1.
What is the InChIKey of 4-methyl-5-pyrrolidin-3-yl-1,3-thiazole?
The InChIKey is MUMGXTDTPHSFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-6-8(11-5-10-6)7-2-3-9-4-7/h5,7,9H,2-4H2,1H3.
What are the key properties of 4-methyl-5-pyrrolidin-3-yl-1,3-thiazole?
4-methyl-5-pyrrolidin-3-yl-1,3-thiazole has a molecular weight of 168.26 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-pyrrolidin-3-yl-1,3-thiazole is sourced from PubChem (CID 82413076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).