4-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole

C13H18N4O2S2 — CID 124951938

IUPAC4-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN(Cc2cscn2)C1
InChIInChI=1S/C13H18N4O2S2/c1-21(18,19)12-5-15-16-13(12)10-3-2-4-17(6-10)7-11-8-20-9-14-11/h5,8-10H,2-4,6-7H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyDKWWOEXUJYUOAI-SNVBAGLBSA-N
MW326.45 g/mol
LogP1.65
Rot. Bonds4

About 4-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole

4-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 124951938) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 4-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID124951938
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name4-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN(Cc2cscn2)C1
InChIInChI=1S/C13H18N4O2S2/c1-21(18,19)12-5-15-16-13(12)10-3-2-4-17(6-10)7-11-8-20-9-14-11/h5,8-10H,2-4,6-7H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyDKWWOEXUJYUOAI-SNVBAGLBSA-N
XLogP1.65
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

(3S)-1-(1H-imidazol-5-ylmethyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 125003717
3-methyl-5-[5-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 136673309
(3S)-1-[(3-methylphenyl)methyl]-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 124990081
5-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125014855
5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 124641326
(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-[(2-phenoxyphenyl)methyl]piperidine
CID 124943146
2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 110269018
5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 127244850
(3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide
CID 124956608
5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole
CID 110106115
5-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 125025175
1,4-dimethyl-5-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 124981858

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 124951938) is 4-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole is CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN(Cc2cscn2)C1.
What is the InChIKey of 4-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is DKWWOEXUJYUOAI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-21(18,19)12-5-15-16-13(12)10-3-2-4-17(6-10)7-11-8-20-9-14-11/h5,8-10H,2-4,6-7H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 4-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
4-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 326.45 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 124951938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).