[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

C14H18N4OS — CID 95848612

IUPAC[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1cn[nH]c1[C@@]1(C)CCCN(C(=O)c2cscn2)C1
InChIInChI=1S/C14H18N4OS/c1-10-6-16-17-12(10)14(2)4-3-5-18(8-14)13(19)11-7-20-9-15-11/h6-7,9H,3-5,8H2,1-2H3,(H,16,17)/t14-/m0/s1
InChIKeySWLITIFKKRDNBB-AWEZNQCLSA-N
MW290.39 g/mol
LogP2.37
Rot. Bonds2

About [(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 95848612) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is [(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID95848612
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1cn[nH]c1[C@@]1(C)CCCN(C(=O)c2cscn2)C1
InChIInChI=1S/C14H18N4OS/c1-10-6-16-17-12(10)14(2)4-3-5-18(8-14)13(19)11-7-20-9-15-11/h6-7,9H,3-5,8H2,1-2H3,(H,16,17)/t14-/m0/s1
InChIKeySWLITIFKKRDNBB-AWEZNQCLSA-N
XLogP2.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95848592
2-methoxy-1-[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95848502
5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95848569
(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
CID 135088689
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
[1-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone
CID 134070855
5-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95848600
(2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 102737670
5-[3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 110272365
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110250248
[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone
CID 110272344
[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110272338

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 95848612) is [(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is Cc1cn[nH]c1[C@@]1(C)CCCN(C(=O)c2cscn2)C1.
What is the InChIKey of [(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is SWLITIFKKRDNBB-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-6-16-17-12(10)14(2)4-3-5-18(8-14)13(19)11-7-20-9-15-11/h6-7,9H,3-5,8H2,1-2H3,(H,16,17)/t14-/m0/s1.
What are the key properties of [(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 290.39 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 95848612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).