[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone

C19H25F3N4O2S — CID 66840460

IUPAC[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(c1cscn1)N1CCN(C2CN(C(=O)C3CCC(C(F)(F)F)CC3)C2)CC1
InChIInChI=1S/C19H25F3N4O2S/c20-19(21,22)14-3-1-13(2-4-14)17(27)26-9-15(10-26)24-5-7-25(8-6-24)18(28)16-11-29-12-23-16/h11-15H,1-10H2
InChIKeyXKHHZSJNKFIHAF-UHFFFAOYSA-N
MW430.50 g/mol
LogP2.48
Rot. Bonds3

About [3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone

[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 66840460) has the molecular formula C19H25F3N4O2S and a molecular weight of 430.50 g/mol. Its IUPAC name is [3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
PubChem CID66840460
Molecular FormulaC19H25F3N4O2S
Molecular Weight430.50 g/mol
Exact Mass430.17
IUPAC Name[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(c1cscn1)N1CCN(C2CN(C(=O)C3CCC(C(F)(F)F)CC3)C2)CC1
InChIInChI=1S/C19H25F3N4O2S/c20-19(21,22)14-3-1-13(2-4-14)17(27)26-9-15(10-26)24-5-7-25(8-6-24)18(28)16-11-29-12-23-16/h11-15H,1-10H2
InChIKeyXKHHZSJNKFIHAF-UHFFFAOYSA-N
XLogP2.48
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Methylbutyl)-8-(1,3-thiazol-4-ylcarbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70705315
[2-[4-(Trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 59295474
N-[1-[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 4597160
1,3-Thiazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63038430
1,3-Thiazol-4-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 65536303
N-ethyl-1-(1,3-thiazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71998430
(3R)-N-ethyl-1-(1,3-thiazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97574238
(3S)-N-ethyl-1-(1,3-thiazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97574239
1,3-Thiazol-4-yl-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
CID 121526467
1,3-thiazol-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
CID 124841261
1,3-thiazol-4-yl-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
CID 124841262
[9-(1-Fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 131688902

Frequently Asked Questions

What is the IUPAC name of [3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone (CID 66840460) is [3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone is O=C(c1cscn1)N1CCN(C2CN(C(=O)C3CCC(C(F)(F)F)CC3)C2)CC1.
What is the InChIKey of [3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is XKHHZSJNKFIHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O2S/c20-19(21,22)14-3-1-13(2-4-14)17(27)26-9-15(10-26)24-5-7-25(8-6-24)18(28)16-11-29-12-23-16/h11-15H,1-10H2.
What are the key properties of [3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 430.50 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 66840460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).