N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1,2-benzothiazole-3-carboxamide

C20H19FN2O2S — CID 128517966

IUPACN-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1,2-benzothiazole-3-carboxamide
SMILESCc1ccc2snc(C(=O)NC3(c4cccc(F)c4)CCOCC3)c2c1
InChIInChI=1S/C20H19FN2O2S/c1-13-5-6-17-16(11-13)18(23-26-17)19(24)22-20(7-9-25-10-8-20)14-3-2-4-15(21)12-14/h2-6,11-12H,7-10H2,1H3,(H,22,24)
InChIKeyWPGUBSHFTNAURW-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.18
Rot. Bonds3

About N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1,2-benzothiazole-3-carboxamide

N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1,2-benzothiazole-3-carboxamide (PubChem CID 128517966) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1,2-benzothiazole-3-carboxamide
PubChem CID128517966
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC NameN-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1,2-benzothiazole-3-carboxamide
SMILESCc1ccc2snc(C(=O)NC3(c4cccc(F)c4)CCOCC3)c2c1
InChIInChI=1S/C20H19FN2O2S/c1-13-5-6-17-16(11-13)18(23-26-17)19(24)22-20(7-9-25-10-8-20)14-3-2-4-15(21)12-14/h2-6,11-12H,7-10H2,1H3,(H,22,24)
InChIKeyWPGUBSHFTNAURW-UHFFFAOYSA-N
XLogP4.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 99819235
N-[4-(3-fluorophenyl)oxan-4-yl]furan-3-carboxamide
CID 71993760
N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119816176
N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 71993748
4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide
CID 119342225
2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976524
7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride
CID 119816174
(E)-N-[4-(3-fluorophenyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide
CID 75407979
N-[4-(3-fluorophenyl)oxan-4-yl]formamide
CID 175327323
2-[3-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid
CID 119187111
(E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide
CID 110478087
N-[4-(3-fluorophenyl)oxan-4-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 139005167

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1,2-benzothiazole-3-carboxamide?
The IUPAC name of N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1,2-benzothiazole-3-carboxamide (CID 128517966) is N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1,2-benzothiazole-3-carboxamide is Cc1ccc2snc(C(=O)NC3(c4cccc(F)c4)CCOCC3)c2c1.
What is the InChIKey of N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1,2-benzothiazole-3-carboxamide?
The InChIKey is WPGUBSHFTNAURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-13-5-6-17-16(11-13)18(23-26-17)19(24)22-20(7-9-25-10-8-20)14-3-2-4-15(21)12-14/h2-6,11-12H,7-10H2,1H3,(H,22,24).
What are the key properties of N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1,2-benzothiazole-3-carboxamide?
N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1,2-benzothiazole-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 128517966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).