2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole

C11H16N2S — CID 82659962

IUPAC2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
SMILESc1sc(C2CC2)nc1CC1CCNC1
InChIInChI=1S/C11H16N2S/c1-2-9(1)11-13-10(7-14-11)5-8-3-4-12-6-8/h7-9,12H,1-6H2
InChIKeyXAJMBCBLVQTKFL-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.17
Rot. Bonds3

About 2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole

2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole (PubChem CID 82659962) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
PubChem CID82659962
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
SMILESc1sc(C2CC2)nc1CC1CCNC1
InChIInChI=1S/C11H16N2S/c1-2-9(1)11-13-10(7-14-11)5-8-3-4-12-6-8/h7-9,12H,1-6H2
InChIKeyXAJMBCBLVQTKFL-UHFFFAOYSA-N
XLogP2.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888781
4-(azetidin-3-ylmethyl)-2-cyclopentyl-1,3-thiazole
CID 105479874
(2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine
CID 82670559
2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888776
2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine
CID 115087742
2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 96900907
2-(5-bromo-2-methylphenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888773
N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 115087985
2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 82278133
N-methyl-1-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)propan-2-amine
CID 115087748
4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558226
5-cyclopropyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyridine
CID 158085877

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole (CID 82659962) is 2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole is c1sc(C2CC2)nc1CC1CCNC1.
What is the InChIKey of 2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The InChIKey is XAJMBCBLVQTKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-2-9(1)11-13-10(7-14-11)5-8-3-4-12-6-8/h7-9,12H,1-6H2.
What are the key properties of 2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole has a molecular weight of 208.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 82659962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).