[2-(3,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C18H21F2N3OS — CID 59338234

IUPAC[2-(3,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1nc(-c2cc(F)cc(F)c2)sc1C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C18H21F2N3OS/c1-11(2)22-4-6-23(7-5-22)18(24)16-12(3)21-17(25-16)13-8-14(19)10-15(20)9-13/h8-11H,4-7H2,1-3H3
InChIKeyVFLMFXYICHWGOD-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.56
Rot. Bonds3

About [2-(3,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[2-(3,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 59338234) has the molecular formula C18H21F2N3OS and a molecular weight of 365.45 g/mol. Its IUPAC name is [2-(3,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID59338234
Molecular FormulaC18H21F2N3OS
Molecular Weight365.45 g/mol
Exact Mass365.14
IUPAC Name[2-(3,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1nc(-c2cc(F)cc(F)c2)sc1C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C18H21F2N3OS/c1-11(2)22-4-6-23(7-5-22)18(24)16-12(3)21-17(25-16)13-8-14(19)10-15(20)9-13/h8-11H,4-7H2,1-3H3
InChIKeyVFLMFXYICHWGOD-UHFFFAOYSA-N
XLogP3.56
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 59338506
1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone
CID 59337830
[4-methyl-2-(3-methyl-2-pyridinyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 59337994
ethyl 4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate
CID 42581499
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 119519108
(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 59338745
(4-cyclopentylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338746
1-(azepan-1-yl)-2-[4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 17401487
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 26721215
N,N-diethyl-2-[4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide
CID 30888615
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 25478969
1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid
CID 51053925

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(3,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 59338234) is [2-(3,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(3,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(3,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is Cc1nc(-c2cc(F)cc(F)c2)sc1C(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of [2-(3,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is VFLMFXYICHWGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3OS/c1-11(2)22-4-6-23(7-5-22)18(24)16-12(3)21-17(25-16)13-8-14(19)10-15(20)9-13/h8-11H,4-7H2,1-3H3.
What are the key properties of [2-(3,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[2-(3,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 365.45 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 59338234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).