2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

C17H24N4OS2 — CID 56704226

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCc1csc(SCC(=O)N2CCC(c3cc(C(C)C)n[nH]3)CC2)n1
InChIInChI=1S/C17H24N4OS2/c1-11(2)14-8-15(20-19-14)13-4-6-21(7-5-13)16(22)10-24-17-18-12(3)9-23-17/h8-9,11,13H,4-7,10H2,1-3H3,(H,19,20)
InChIKeyBNMBMQSVTRQBOZ-UHFFFAOYSA-N
MW364.54 g/mol
LogP3.80
Rot. Bonds5

About 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 56704226) has the molecular formula C17H24N4OS2 and a molecular weight of 364.54 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID56704226
Molecular FormulaC17H24N4OS2
Molecular Weight364.54 g/mol
Exact Mass364.14
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCc1csc(SCC(=O)N2CCC(c3cc(C(C)C)n[nH]3)CC2)n1
InChIInChI=1S/C17H24N4OS2/c1-11(2)14-8-15(20-19-14)13-4-6-21(7-5-13)16(22)10-24-17-18-12(3)9-23-17/h8-9,11,13H,4-7,10H2,1-3H3,(H,19,20)
InChIKeyBNMBMQSVTRQBOZ-UHFFFAOYSA-N
XLogP3.80
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 71926774
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 71926808
2-methyl-4-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 72121344
[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 72145425
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 72148051
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 121523266
3-(5-methyl-1H-pyrazol-3-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 136571101
2-methyl-4-[[(3S)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 96104194
2-methyl-4-[[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 96104195
4,4,4-trifluoro-3-hydroxy-1-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)butan-1-one
CID 139003412
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine
CID 155985537
3-ethyl-5-{[2-(ethylthio)-1,3-thiazol-4-yl]acetyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 39782330

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 56704226) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is Cc1csc(SCC(=O)N2CCC(c3cc(C(C)C)n[nH]3)CC2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is BNMBMQSVTRQBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS2/c1-11(2)14-8-15(20-19-14)13-4-6-21(7-5-13)16(22)10-24-17-18-12(3)9-23-17/h8-9,11,13H,4-7,10H2,1-3H3,(H,19,20).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 364.54 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 56704226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).