(3,4-difluorophenyl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone

C19H20F2N2OS — CID 110289983

IUPAC(3,4-difluorophenyl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC(c2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C19H20F2N2OS/c20-14-6-5-13(11-15(14)21)19(24)23-9-7-12(8-10-23)18-22-16-3-1-2-4-17(16)25-18/h5-6,11-12H,1-4,7-10H2
InChIKeyRJVCOVPLIBBKLW-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.32
Rot. Bonds2

About (3,4-difluorophenyl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone

(3,4-difluorophenyl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 110289983) has the molecular formula C19H20F2N2OS and a molecular weight of 362.45 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
PubChem CID110289983
Molecular FormulaC19H20F2N2OS
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name(3,4-difluorophenyl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC(c2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C19H20F2N2OS/c20-14-6-5-13(11-15(14)21)19(24)23-9-7-12(8-10-23)18-22-16-3-1-2-4-17(16)25-18/h5-6,11-12H,1-4,7-10H2
InChIKeyRJVCOVPLIBBKLW-UHFFFAOYSA-N
XLogP4.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-3-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 110289978
(3,4-difluorophenyl)-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
CID 110405401
2,2-dimethyl-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110289961
1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71683914
oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 110289960
[4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 68824394
(3-chlorophenyl)-[4-[6-(cyclobutadienyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]piperidin-1-yl]methanone
CID 68824804
4-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122126606
ethyl 2-oxo-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]acetate
CID 110289985
N-[2-[2-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 71841986
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 110628914
1-(2-methylphenyl)-4-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]butane-1,4-dione
CID 110628926

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone (CID 110289983) is (3,4-difluorophenyl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCC(c2nc3c(s2)CCCC3)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is RJVCOVPLIBBKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2OS/c20-14-6-5-13(11-15(14)21)19(24)23-9-7-12(8-10-23)18-22-16-3-1-2-4-17(16)25-18/h5-6,11-12H,1-4,7-10H2.
What are the key properties of (3,4-difluorophenyl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
(3,4-difluorophenyl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 362.45 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110289983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).