4-(1-methylpyrrolidin-2-yl)-1,3-thiazole

C8H12N2S — CID 143153913

IUPAC4-(1-methylpyrrolidin-2-yl)-1,3-thiazole
SMILESCN1CCCC1c1cscn1
InChIInChI=1S/C8H12N2S/c1-10-4-2-3-8(10)7-5-11-6-9-7/h5-6,8H,2-4H2,1H3
InChIKeyPZWXZKXTNIHCOU-UHFFFAOYSA-N
MW168.27 g/mol
LogP1.91
Rot. Bonds1

About 4-(1-methylpyrrolidin-2-yl)-1,3-thiazole

4-(1-methylpyrrolidin-2-yl)-1,3-thiazole (PubChem CID 143153913) has the molecular formula C8H12N2S and a molecular weight of 168.27 g/mol. Its IUPAC name is 4-(1-methylpyrrolidin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1-methylpyrrolidin-2-yl)-1,3-thiazole
PubChem CID143153913
Molecular FormulaC8H12N2S
Molecular Weight168.27 g/mol
Exact Mass168.07
IUPAC Name4-(1-methylpyrrolidin-2-yl)-1,3-thiazole
SMILESCN1CCCC1c1cscn1
InChIInChI=1S/C8H12N2S/c1-10-4-2-3-8(10)7-5-11-6-9-7/h5-6,8H,2-4H2,1H3
InChIKeyPZWXZKXTNIHCOU-UHFFFAOYSA-N
XLogP1.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 97304838
2-(1-methylpyrrolidin-2-yl)pyrimidine
CID 89060530
2-bromo-6-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 124641952
4-(1-methylpyrrolidin-2-yl)-6-phenylpyrimidine
CID 123600076
2-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]acetic acid
CID 115035664
5-methyl-2-[2-methyl-6-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3-thiazole
CID 110100448
4-(1-methylpyrrolidin-2-yl)-1,3-oxazol-2-amine
CID 115013289
6-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile
CID 115017325
[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanol
CID 115088342
tert-butyl-dimethyl-[(1R)-1-[4-[(2R)-2-(1,3-thiazol-4-yl)pyrrolidin-1-yl]phenyl]ethoxy]silane
CID 175933387
N-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820356
4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid
CID 124987095

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrrolidin-2-yl)-1,3-thiazole?
The IUPAC name of 4-(1-methylpyrrolidin-2-yl)-1,3-thiazole (CID 143153913) is 4-(1-methylpyrrolidin-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(1-methylpyrrolidin-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(1-methylpyrrolidin-2-yl)-1,3-thiazole is CN1CCCC1c1cscn1.
What is the InChIKey of 4-(1-methylpyrrolidin-2-yl)-1,3-thiazole?
The InChIKey is PZWXZKXTNIHCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-10-4-2-3-8(10)7-5-11-6-9-7/h5-6,8H,2-4H2,1H3.
What are the key properties of 4-(1-methylpyrrolidin-2-yl)-1,3-thiazole?
4-(1-methylpyrrolidin-2-yl)-1,3-thiazole has a molecular weight of 168.27 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrrolidin-2-yl)-1,3-thiazole is sourced from PubChem (CID 143153913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).