5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

C11H14N4S — CID 125012821

IUPAC5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESc1cc([C@H]2CCN(Cc3cncs3)C2)[nH]n1
InChIInChI=1S/C11H14N4S/c1-3-13-14-11(1)9-2-4-15(6-9)7-10-5-12-8-16-10/h1,3,5,8-9H,2,4,6-7H2,(H,13,14)/t9-/m0/s1
InChIKeyWAQIENMUJIUMLC-VIFPVBQESA-N
MW234.33 g/mol
LogP1.86
Rot. Bonds3

About 5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 125012821) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID125012821
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESc1cc([C@H]2CCN(Cc3cncs3)C2)[nH]n1
InChIInChI=1S/C11H14N4S/c1-3-13-14-11(1)9-2-4-15(6-9)7-10-5-12-8-16-10/h1,3,5,8-9H,2,4,6-7H2,(H,13,14)/t9-/m0/s1
InChIKeyWAQIENMUJIUMLC-VIFPVBQESA-N
XLogP1.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 127247070
5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 172891886
5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 141207736
2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 124963845
5-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125014855
N,N-dimethyl-5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine
CID 110096277
4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole
CID 125009893
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 112644427
3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 127247080
1-[(2-methylpyrazol-3-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 134696298
5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 125023271
5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124980487

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 125012821) is 5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is c1cc([C@H]2CCN(Cc3cncs3)C2)[nH]n1.
What is the InChIKey of 5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is WAQIENMUJIUMLC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N4S/c1-3-13-14-11(1)9-2-4-15(6-9)7-10-5-12-8-16-10/h1,3,5,8-9H,2,4,6-7H2,(H,13,14)/t9-/m0/s1.
What are the key properties of 5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 234.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 125012821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).